2-amino-3-benzamido-4-phenylbutanoic acid

C17H18N2O3 — CID 12502888

IUPAC2-amino-3-benzamido-4-phenylbutanoic acid
SMILESNC(C(=O)O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3/c18-15(17(21)22)14(11-12-7-3-1-4-8-12)19-16(20)13-9-5-2-6-10-13/h1-10,14-15H,11,18H2,(H,19,20)(H,21,22)
InChIKeyOKWNTBTWLXWHKA-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.44
Rot. Bonds6

About 2-amino-3-benzamido-4-phenylbutanoic acid

2-amino-3-benzamido-4-phenylbutanoic acid (PubChem CID 12502888) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-amino-3-benzamido-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-amino-3-benzamido-4-phenylbutanoic acid
PubChem CID12502888
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-amino-3-benzamido-4-phenylbutanoic acid
SMILESNC(C(=O)O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3/c18-15(17(21)22)14(11-12-7-3-1-4-8-12)19-16(20)13-9-5-2-6-10-13/h1-10,14-15H,11,18H2,(H,19,20)(H,21,22)
InChIKeyOKWNTBTWLXWHKA-UHFFFAOYSA-N
XLogP1.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide
CID 15293513
(2R)-2-amino-2-benzamidoacetic acid
CID 86334519
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830
N-[(2R)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464831
N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide
CID 23344907
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
2-amino-2-benzamidoacetic acid;hydrochloride
CID 174337324
2-amino-3-benzyl-4-hydroxypent-4-enoic acid
CID 143364483
N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide
CID 155674072
N-(1-amino-3-methylbutan-2-yl)benzamide
CID 65191008
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 174670536
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzamido-4-phenylbutanoic acid?
The IUPAC name of 2-amino-3-benzamido-4-phenylbutanoic acid (CID 12502888) is 2-amino-3-benzamido-4-phenylbutanoic acid.
What is the SMILES notation for 2-amino-3-benzamido-4-phenylbutanoic acid?
The canonical SMILES for 2-amino-3-benzamido-4-phenylbutanoic acid is NC(C(=O)O)C(Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of 2-amino-3-benzamido-4-phenylbutanoic acid?
The InChIKey is OKWNTBTWLXWHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-15(17(21)22)14(11-12-7-3-1-4-8-12)19-16(20)13-9-5-2-6-10-13/h1-10,14-15H,11,18H2,(H,19,20)(H,21,22).
What are the key properties of 2-amino-3-benzamido-4-phenylbutanoic acid?
2-amino-3-benzamido-4-phenylbutanoic acid has a molecular weight of 298.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzamido-4-phenylbutanoic acid is sourced from PubChem (CID 12502888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).