3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride

C16H16ClNO4 — CID 175045736

IUPAC3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride
SMILESCl.O=C(NC(c1ccccc1)C(O)C(=O)O)c1ccccc1
InChIInChI=1S/C16H15NO4.ClH/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12;/h1-10,13-14,18H,(H,17,19)(H,20,21);1H
InChIKeyPTCRSTKFEPWGTG-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.03
Rot. Bonds5

About 3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride

3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride (PubChem CID 175045736) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride
PubChem CID175045736
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride
SMILESCl.O=C(NC(c1ccccc1)C(O)C(=O)O)c1ccccc1
InChIInChI=1S/C16H15NO4.ClH/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12;/h1-10,13-14,18H,(H,17,19)(H,20,21);1H
InChIKeyPTCRSTKFEPWGTG-UHFFFAOYSA-N
XLogP2.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-benzamido-2-hydroxy-3-phenylpropanethioic S-acid
CID 18660976
N-(2-hydroxy-3-oxo-1-phenylbutyl)benzamide
CID 71218694
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
N-(2,3-dihydroxy-1-phenylpropyl)benzamide
CID 14650575
benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 102178448
N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide
CID 57161994
N-[(1R,2S,3R)-3-hydroxy-2-methyl-1,3-diphenylpropyl]benzamide
CID 134903315
N-[(1R)-2-acetyl-3-oxo-1-phenylbutyl]benzamide
CID 11587624
(2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid
CID 71168164
ethyl (2S,3S)-3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoate
CID 163362380
ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 175230442
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride?
The IUPAC name of 3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride (CID 175045736) is 3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride.
What is the SMILES notation for 3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride?
The canonical SMILES for 3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride is Cl.O=C(NC(c1ccccc1)C(O)C(=O)O)c1ccccc1.
What is the InChIKey of 3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride?
The InChIKey is PTCRSTKFEPWGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4.ClH/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12;/h1-10,13-14,18H,(H,17,19)(H,20,21);1H.
What are the key properties of 3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride?
3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride has a molecular weight of 321.76 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride is sourced from PubChem (CID 175045736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).