Phenylmethyl (3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxybutanoate

CAS Registry Number®

79069-16-2

CAS Name

Phenylmethyl (3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxybutanoate

Molecular Formula

C16H23NO5

Molecular Mass

309.36

Cite this Page

Phenylmethyl (3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxybutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79069-16-2 (retrieved 2024-12-21) (CAS RN: 79069-16-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    57 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17-13(10-18)9-14(19)21-11-12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3,(H,17,20)/t13-/m0/s1

InChIKey

InChIKey=XEGSFNZVTUGZCK-ZDUSSCGKSA-N

SMILES

C(OC(C[C@H](NC(OC(C)(C)C)=O)CO)=O)C1=CC=CC=C1

Canonical SMILES

O=C(OC(C)(C)C)NC(CO)CC(=O)OCC=1C=CC=CC1

Other Names for this Substance

  • Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, phenylmethyl ester, (3S)-
  • Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, phenylmethyl ester, (S)-
  • Phenylmethyl (3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxybutanoate
  • (S)-Benzyl 3-(tert-butoxycarbonylamino)-4-hydroxybutyrate
  • Phenylmethyl (3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxybutanoate

View All

Deleted or Replaced CAS Registry Numbers

1097325-59-1

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.