2-[(4-cyclopentylphenyl)methylamino]pentanoic acid

C17H25NO2 — CID 122039745

IUPAC2-[(4-cyclopentylphenyl)methylamino]pentanoic acid
SMILESCCCC(NCc1ccc(C2CCCC2)cc1)C(=O)O
InChIInChI=1S/C17H25NO2/c1-2-5-16(17(19)20)18-12-13-8-10-15(11-9-13)14-6-3-4-7-14/h8-11,14,16,18H,2-7,12H2,1H3,(H,19,20)
InChIKeyUSPYDNXQYFFEJS-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.69
Rot. Bonds7

About 2-[(4-cyclopentylphenyl)methylamino]pentanoic acid

2-[(4-cyclopentylphenyl)methylamino]pentanoic acid (PubChem CID 122039745) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[(4-cyclopentylphenyl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-cyclopentylphenyl)methylamino]pentanoic acid
PubChem CID122039745
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[(4-cyclopentylphenyl)methylamino]pentanoic acid
SMILESCCCC(NCc1ccc(C2CCCC2)cc1)C(=O)O
InChIInChI=1S/C17H25NO2/c1-2-5-16(17(19)20)18-12-13-8-10-15(11-9-13)14-6-3-4-7-14/h8-11,14,16,18H,2-7,12H2,1H3,(H,19,20)
InChIKeyUSPYDNXQYFFEJS-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4-cyclobutylphenyl)methylamino]-4-methylpentanoic acid
CID 122037087
2-[(4-chlorophenyl)methylamino]pentanoic acid
CID 43631664
4-(4-cyclohexylphenyl)-2-[(4-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 3884568
2-[(3,4-dimethylphenyl)methylamino]pentanoic acid
CID 54977543
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)pentanoic acid
CID 65054986
(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
CID 122038518
(2R)-2-(benzylamino)hexanoic acid
CID 129366307
2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid
CID 79978602
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
2-[(3-fluoro-4-methylphenyl)methylamino]pentanoic acid
CID 65055420
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
2-(benzylamino)nonanoic acid
CID 54889620

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylphenyl)methylamino]pentanoic acid?
The IUPAC name of 2-[(4-cyclopentylphenyl)methylamino]pentanoic acid (CID 122039745) is 2-[(4-cyclopentylphenyl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(4-cyclopentylphenyl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(4-cyclopentylphenyl)methylamino]pentanoic acid is CCCC(NCc1ccc(C2CCCC2)cc1)C(=O)O.
What is the InChIKey of 2-[(4-cyclopentylphenyl)methylamino]pentanoic acid?
The InChIKey is USPYDNXQYFFEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-5-16(17(19)20)18-12-13-8-10-15(11-9-13)14-6-3-4-7-14/h8-11,14,16,18H,2-7,12H2,1H3,(H,19,20).
What are the key properties of 2-[(4-cyclopentylphenyl)methylamino]pentanoic acid?
2-[(4-cyclopentylphenyl)methylamino]pentanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentylphenyl)methylamino]pentanoic acid is sourced from PubChem (CID 122039745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).