3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid

C19H27NO3 — CID 120700845

IUPAC3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCC(CNC(=O)C(C)(C)C1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H27NO3/c1-18(2,14-9-7-8-10-14)16(21)20-13-19(3,17(22)23)15-11-5-4-6-12-15/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyFQSZDKDWHGCYPP-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.36
Rot. Bonds6

About 3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid

3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120700845) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120700845
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCC(CNC(=O)C(C)(C)C1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H27NO3/c1-18(2,14-9-7-8-10-14)16(21)20-13-19(3,17(22)23)15-11-5-4-6-12-15/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyFQSZDKDWHGCYPP-UHFFFAOYSA-N
XLogP3.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120700962
3-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120701285
3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120700700
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 120701287
3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701031
4-(cyclopentylmethylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43529089
2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid
CID 120701566
3-(hexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700832
2-methyl-3-(3-methylsulfanylpropanoylamino)-2-phenylpropanoic acid
CID 120701360
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid (CID 120700845) is 3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid is CC(CNC(=O)C(C)(C)C1CCCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is FQSZDKDWHGCYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-18(2,14-9-7-8-10-14)16(21)20-13-19(3,17(22)23)15-11-5-4-6-12-15/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid?
3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 317.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120700845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).