sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

C17H16NNaO4 — CID 23678665

IUPACsodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)[O-])OCc1ccccc1.[Na+]
InChIInChI=1S/C17H17NO4.Na/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2,(H,18,21)(H,19,20);/q;+1/p-1/t15-;/m0./s1
InChIKeyFVWYHEBXERXOEI-RSAXXLAASA-M
MW321.31 g/mol
LogP-1.72
Rot. Bonds6

About sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 23678665) has the molecular formula C17H16NNaO4 and a molecular weight of 321.31 g/mol. Its IUPAC name is sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namesodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID23678665
Molecular FormulaC17H16NNaO4
Molecular Weight321.31 g/mol
Exact Mass321.10
IUPAC Namesodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)[O-])OCc1ccccc1.[Na+]
InChIInChI=1S/C17H17NO4.Na/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2,(H,18,21)(H,19,20);/q;+1/p-1/t15-;/m0./s1
InChIKeyFVWYHEBXERXOEI-RSAXXLAASA-M
XLogP-1.72
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 6920101
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoate
CID 53448599
(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate
CID 7010615
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617
benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
(2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate
CID 7015060
(2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 7020253
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375
benzyl 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 13169996
(2R)-2-(phenylmethoxycarbonylamino)-3-phenylmethoxycarbonylsulfanylpropanoate
CID 7021868
benzyl 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 4054781

Frequently Asked Questions

What is the IUPAC name of sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate (CID 23678665) is sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate is O=C(N[C@@H](Cc1ccccc1)C(=O)[O-])OCc1ccccc1.[Na+].
What is the InChIKey of sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is FVWYHEBXERXOEI-RSAXXLAASA-M. The full InChI is InChI=1S/C17H17NO4.Na/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2,(H,18,21)(H,19,20);/q;+1/p-1/t15-;/m0./s1.
What are the key properties of sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 321.31 g/mol, XLogP of -1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 23678665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).