(2S)-2-benzamido-3-phenylbutanoic acid

C17H17NO3 — CID 18652423

IUPAC(2S)-2-benzamido-3-phenylbutanoic acid
SMILESCC(c1ccccc1)[C@H](NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C17H17NO3/c1-12(13-8-4-2-5-9-13)15(17(20)21)18-16(19)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,18,19)(H,20,21)/t12?,15-/m0/s1
InChIKeyBWFLHHUSLRKNDX-CVRLYYSRSA-N
MW283.33 g/mol
LogP2.67
Rot. Bonds5

About (2S)-2-benzamido-3-phenylbutanoic acid

(2S)-2-benzamido-3-phenylbutanoic acid (PubChem CID 18652423) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-2-benzamido-3-phenylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-benzamido-3-phenylbutanoic acid
PubChem CID18652423
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2S)-2-benzamido-3-phenylbutanoic acid
SMILESCC(c1ccccc1)[C@H](NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C17H17NO3/c1-12(13-8-4-2-5-9-13)15(17(20)21)18-16(19)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,18,19)(H,20,21)/t12?,15-/m0/s1
InChIKeyBWFLHHUSLRKNDX-CVRLYYSRSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-3-phenylbutanoic acid
CID 14036079
(2S)-2-[[(2S)-2-hydroxypropanoyl]amino]-3-phenylbutanoic acid
CID 176961834
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
2-hydrazinyl-3-phenylbutanoic acid
CID 55280832
(2R)-2-amino-2-benzamidoacetic acid
CID 86334519
N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9110395
(2R,3S)-2-benzamido-4-cyano-3-phenylpent-4-enoic acid
CID 135016360
2-amino-2-benzamidoacetic acid;hydrochloride
CID 174337324
3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
CID 146099183
(2S,3R)-2-[[3-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 40571808
2-benzamido-2-propan-2-ylsulfanylacetic acid
CID 24976504
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzamido-3-phenylbutanoic acid?
The IUPAC name of (2S)-2-benzamido-3-phenylbutanoic acid (CID 18652423) is (2S)-2-benzamido-3-phenylbutanoic acid.
What is the SMILES notation for (2S)-2-benzamido-3-phenylbutanoic acid?
The canonical SMILES for (2S)-2-benzamido-3-phenylbutanoic acid is CC(c1ccccc1)[C@H](NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-benzamido-3-phenylbutanoic acid?
The InChIKey is BWFLHHUSLRKNDX-CVRLYYSRSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(13-8-4-2-5-9-13)15(17(20)21)18-16(19)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,18,19)(H,20,21)/t12?,15-/m0/s1.
What are the key properties of (2S)-2-benzamido-3-phenylbutanoic acid?
(2S)-2-benzamido-3-phenylbutanoic acid has a molecular weight of 283.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzamido-3-phenylbutanoic acid is sourced from PubChem (CID 18652423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).