2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid

C16H21NO3 — CID 62487480

IUPAC2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)CC1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-16(15(19)20,13-9-3-2-4-10-13)17-14(18)11-12-7-5-6-8-12/h2-4,9-10,12H,5-8,11H2,1H3,(H,17,18)(H,19,20)
InChIKeyLNWUOYBWECWTRE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.68
Rot. Bonds5

About 2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid

2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid (PubChem CID 62487480) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid
PubChem CID62487480
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)CC1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-16(15(19)20,13-9-3-2-4-10-13)17-14(18)11-12-7-5-6-8-12/h2-4,9-10,12H,5-8,11H2,1H3,(H,17,18)(H,19,20)
InChIKeyLNWUOYBWECWTRE-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-(1,1-diphenylethyl)acetamide
CID 56522804
2-cyclohexyl-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105058964
3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120700962
2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid
CID 62586316
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
2-phenyl-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913849
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129
cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid
CID 161352808
2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
CID 107175398

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid (CID 62487480) is 2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid is CC(NC(=O)CC1CCCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid?
The InChIKey is LNWUOYBWECWTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(15(19)20,13-9-3-2-4-10-13)17-14(18)11-12-7-5-6-8-12/h2-4,9-10,12H,5-8,11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid?
2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62487480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).