2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid

C17H25NO2 — CID 65058262

IUPAC2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid
SMILESCc1ccc(C)c(C(C)N(CC(=O)O)C2CCCC2)c1
InChIInChI=1S/C17H25NO2/c1-12-8-9-13(2)16(10-12)14(3)18(11-17(19)20)15-6-4-5-7-15/h8-10,14-15H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyCAGAMCOUNQZGLQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.69
Rot. Bonds5

About 2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid

2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid (PubChem CID 65058262) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid
PubChem CID65058262
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid
SMILESCc1ccc(C)c(C(C)N(CC(=O)O)C2CCCC2)c1
InChIInChI=1S/C17H25NO2/c1-12-8-9-13(2)16(10-12)14(3)18(11-17(19)20)15-6-4-5-7-15/h8-10,14-15H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyCAGAMCOUNQZGLQ-UHFFFAOYSA-N
XLogP3.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid
CID 65058314
2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid
CID 65058930
2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058402
2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid
CID 65057476
4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113200
2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058654
2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid
CID 65058595
3-[tert-butyl-[1-(2,5-dimethylphenyl)ethyl]amino]propanoic acid
CID 65058278
2-[cyclopentyl(3-methylpentan-2-yl)amino]acetic acid
CID 65058642
2-[cyclopentyl(4-methylpentan-2-yl)amino]acetic acid
CID 65058452
2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060736
2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid
CID 65058019

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid (CID 65058262) is 2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid is Cc1ccc(C)c(C(C)N(CC(=O)O)C2CCCC2)c1.
What is the InChIKey of 2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid?
The InChIKey is CAGAMCOUNQZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-8-9-13(2)16(10-12)14(3)18(11-17(19)20)15-6-4-5-7-15/h8-10,14-15H,4-7,11H2,1-3H3,(H,19,20).
What are the key properties of 2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid?
2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid has a molecular weight of 275.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 65058262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).