(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid

C16H15NO4 — CID 784806

IUPAC(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1
InChIInChI=1S/C16H15NO4/c18-13-8-6-11(7-9-13)10-14(16(20)21)17-15(19)12-4-2-1-3-5-12/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyKUUUDPTUEOKITK-CQSZACIVSA-N
MW285.30 g/mol
LogP1.82
Rot. Bonds5

About (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid

(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 784806) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
PubChem CID784806
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1
InChIInChI=1S/C16H15NO4/c18-13-8-6-11(7-9-13)10-14(16(20)21)17-15(19)12-4-2-1-3-5-12/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyKUUUDPTUEOKITK-CQSZACIVSA-N
XLogP1.82
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 174670536
2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 53456337
(2S)-2-[[4-(bromomethyl)benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 59127039
2-[(4-bromobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 16773465
(2S)-2-[(4-aminobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 12804970
(2S)-2-benzamido-3-[4-(2-carboxyethyl)phenyl]propanoic acid
CID 70138871
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
2-benzamido-3-[4-(dimethylamino)phenyl]propanoic acid
CID 54792366
(2S)-3-(4-hydroxyphenyl)-2-[(4-nitrobenzoyl)amino]propanoic acid
CID 102317776
3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 13293155
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 6914726

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid (CID 784806) is (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid is O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is KUUUDPTUEOKITK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15NO4/c18-13-8-6-11(7-9-13)10-14(16(20)21)17-15(19)12-4-2-1-3-5-12/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid?
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 784806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).