1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid

C17H25NO2 — CID 125453369

IUPAC1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)c1ccc([C@@H](CN)C2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-12(2)13-5-7-14(8-6-13)15(11-18)17(16(19)20)9-3-4-10-17/h5-8,12,15H,3-4,9-11,18H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyQBYAXZABWPKYKW-OAHLLOKOSA-N
MW275.39 g/mol
LogP3.50
Rot. Bonds5

About 1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid

1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 125453369) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID125453369
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)c1ccc([C@@H](CN)C2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-12(2)13-5-7-14(8-6-13)15(11-18)17(16(19)20)9-3-4-10-17/h5-8,12,15H,3-4,9-11,18H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyQBYAXZABWPKYKW-OAHLLOKOSA-N
XLogP3.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125452500
1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125452234
1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125453575
1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125454213
1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid
CID 125451372
1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
CID 125451251
1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125454135
1-[(1S)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 125452096
1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 125452090
1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid
CID 125452194
1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125452888
[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone
CID 116601363

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid (CID 125453369) is 1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid is CC(C)c1ccc([C@@H](CN)C2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is QBYAXZABWPKYKW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)13-5-7-14(8-6-13)15(11-18)17(16(19)20)9-3-4-10-17/h5-8,12,15H,3-4,9-11,18H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid?
1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 125453369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).