(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid

C16H15NO4 — CID 819214

IUPAC(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyRLDJWBVOZVJJOS-AWEZNQCLSA-N
MW285.30 g/mol
LogP2.74
Rot. Bonds5

About (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid

(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid (PubChem CID 819214) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
PubChem CID819214
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyRLDJWBVOZVJJOS-AWEZNQCLSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309293
2-(4-methylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 87297584
2-(4-carbamimidoylphenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 139908653
(2S)-2-iodo-2-(phenylmethoxycarbonylamino)acetic acid
CID 126547050
benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267837
ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate
CID 101141605
benzyl N-[2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamate
CID 73006787
2-(4-chloro-3-fluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309299
(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 15839659
(2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 25136290
(2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 101062090
benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267835

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid?
The IUPAC name of (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid (CID 819214) is (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid?
The canonical SMILES for (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid?
The InChIKey is RLDJWBVOZVJJOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid?
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid is sourced from PubChem (CID 819214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).