2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid

C17H23NO3 — CID 119233645

IUPAC2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid
SMILESO=C(CC1CCCC1)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H23NO3/c19-16(11-14-8-4-5-9-14)18-12-15(17(20)21)10-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,18,19)(H,20,21)
InChIKeyVEWMJCNQHJKTDM-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.63
Rot. Bonds7

About 2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid

2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid (PubChem CID 119233645) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid
PubChem CID119233645
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid
SMILESO=C(CC1CCCC1)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H23NO3/c19-16(11-14-8-4-5-9-14)18-12-15(17(20)21)10-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,18,19)(H,20,21)
InChIKeyVEWMJCNQHJKTDM-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
CID 16772049
2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
CID 119245416
2-[(3-methylphenyl)methyl]-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]propanoic acid
CID 120526729
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 102673858
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039
2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
CID 48735757
2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid
CID 103925732
(2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124692134
(2S)-2-benzyl-4-(cyclohexylamino)-4-oxobutanoic acid
CID 829380
2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid
CID 119233732
2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 119245385

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid (CID 119233645) is 2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid is O=C(CC1CCCC1)NCC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid?
The InChIKey is VEWMJCNQHJKTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(11-14-8-4-5-9-14)18-12-15(17(20)21)10-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,18,19)(H,20,21).
What are the key properties of 2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid?
2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid has a molecular weight of 289.37 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid is sourced from PubChem (CID 119233645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).