(2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid

C17H17NO4 — CID 54231221

IUPAC(2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid
SMILESO=C(Cc1ccccc1)N[C@H](C(=O)O)C(O)c1ccccc1
InChIInChI=1S/C17H17NO4/c19-14(11-12-7-3-1-4-8-12)18-15(17(21)22)16(20)13-9-5-2-6-10-13/h1-10,15-16,20H,11H2,(H,18,19)(H,21,22)/t15-,16?/m0/s1
InChIKeyQJJZGNCENCTDFJ-VYRBHSGPSA-N
MW299.33 g/mol
LogP1.53
Rot. Bonds6

About (2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid

(2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid (PubChem CID 54231221) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid
PubChem CID54231221
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid
SMILESO=C(Cc1ccccc1)N[C@H](C(=O)O)C(O)c1ccccc1
InChIInChI=1S/C17H17NO4/c19-14(11-12-7-3-1-4-8-12)18-15(17(21)22)16(20)13-9-5-2-6-10-13/h1-10,15-16,20H,11H2,(H,18,19)(H,21,22)/t15-,16?/m0/s1
InChIKeyQJJZGNCENCTDFJ-VYRBHSGPSA-N
XLogP1.53
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanoic acid
CID 176955943
(2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 101062090
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
sodium 2-[[2-(4-aminophenyl)acetyl]amino]-3-hydroxy-3-phenylpropanoate
CID 44725843
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 84579662
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-hydroxy-3-phenylpropanoic acid
CID 173435032
(2R,3S)-3-hydroxy-3-(3-nitrophenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 6938834
sodium (2S,3R)-3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(2-phenylacetyl)amino]propanoate
CID 23682243
2-phenyl-2-[(2-phenylacetyl)amino]ethanethioic S-acid
CID 54430659
(2S)-3-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]butanoic acid
CID 40551618
2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide
CID 117066138
3-hydroxy-2-[[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]acetyl]amino]-3-phenylpropanoate
CID 4610151

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid (CID 54231221) is (2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid is O=C(Cc1ccccc1)N[C@H](C(=O)O)C(O)c1ccccc1.
What is the InChIKey of (2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid?
The InChIKey is QJJZGNCENCTDFJ-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H17NO4/c19-14(11-12-7-3-1-4-8-12)18-15(17(21)22)16(20)13-9-5-2-6-10-13/h1-10,15-16,20H,11H2,(H,18,19)(H,21,22)/t15-,16?/m0/s1.
What are the key properties of (2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid?
(2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid has a molecular weight of 299.33 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 54231221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).