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

C17H16NO4- — CID 6920101

IUPAC(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)[O-])OCc1ccccc1
InChIInChI=1S/C17H17NO4/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)/p-1/t15-/m0/s1
InChIKeyRRONHWAVOYADJL-HNNXBMFYSA-M
MW298.32 g/mol
LogP1.27
Rot. Bonds6

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

(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 6920101) has the molecular formula C17H16NO4- and a molecular weight of 298.32 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID6920101
Molecular FormulaC17H16NO4-
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)[O-])OCc1ccccc1
InChIInChI=1S/C17H17NO4/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)/p-1/t15-/m0/s1
InChIKeyRRONHWAVOYADJL-HNNXBMFYSA-M
XLogP1.27
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 23678665
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
benzyl 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 4054781
benzyl (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 14367196

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate (CID 6920101) is (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate is O=C(N[C@@H](Cc1ccccc1)C(=O)[O-])OCc1ccccc1.
What is the InChIKey of (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is RRONHWAVOYADJL-HNNXBMFYSA-M. The full InChI is InChI=1S/C17H17NO4/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)/p-1/t15-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 298.32 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 6920101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).