2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid

C16H22N2O3 — CID 62488951

IUPAC2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid
SMILESCC(N)(C(=O)N(CC(=O)O)C1CCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(17,12-7-3-2-4-8-12)15(21)18(11-14(19)20)13-9-5-6-10-13/h2-4,7-8,13H,5-6,9-11,17H2,1H3,(H,19,20)
InChIKeyQCEMFMUJNWJEAE-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.72
Rot. Bonds5

About 2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid

2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid (PubChem CID 62488951) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid
PubChem CID62488951
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid
SMILESCC(N)(C(=O)N(CC(=O)O)C1CCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(17,12-7-3-2-4-8-12)15(21)18(11-14(19)20)13-9-5-6-10-13/h2-4,7-8,13H,5-6,9-11,17H2,1H3,(H,19,20)
InChIKeyQCEMFMUJNWJEAE-UHFFFAOYSA-N
XLogP1.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-phenylpropanamide
CID 62489113
2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid
CID 63645589
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-phenylpropanamide
CID 63316114
2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide
CID 120597033
N-(3-aminopropyl)-N-cyclopentyl-2-methyl-2-phenylpropanamide
CID 43136808
2-[cyclopentyl-[methyl(phenyl)carbamoyl]amino]acetic acid
CID 61186503
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
4-amino-1-cyclohexyl-4-phenylpentan-3-one
CID 114193549
2-amino-N-cycloheptyl-2-phenylpropanamide;hydrochloride
CID 120586523
N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide
CID 102871982
2-[tert-butyl(cyclopentyl)amino]acetic acid
CID 79268396
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid (CID 62488951) is 2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid is CC(N)(C(=O)N(CC(=O)O)C1CCCC1)c1ccccc1.
What is the InChIKey of 2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid?
The InChIKey is QCEMFMUJNWJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(17,12-7-3-2-4-8-12)15(21)18(11-14(19)20)13-9-5-6-10-13/h2-4,7-8,13H,5-6,9-11,17H2,1H3,(H,19,20).
What are the key properties of 2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid?
2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid is sourced from PubChem (CID 62488951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).