2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid

C13H16ClNO2 — CID 54894372

IUPAC2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
SMILESO=C(O)C(NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c14-10-7-5-9(6-8-10)12(13(16)17)15-11-3-1-2-4-11/h5-8,11-12,15H,1-4H2,(H,16,17)
InChIKeyJBNGAPAOLSTKPJ-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid

2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid (PubChem CID 54894372) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
PubChem CID54894372
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
SMILESO=C(O)C(NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c14-10-7-5-9(6-8-10)12(13(16)17)15-11-3-1-2-4-11/h5-8,11-12,15H,1-4H2,(H,16,17)
InChIKeyJBNGAPAOLSTKPJ-UHFFFAOYSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-2-(cyclopentylamino)acetic 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

2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81146022
2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid
CID 54893022
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
CID 106817713
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880
2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81437595
2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid
CID 60998431
2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148711
2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid
CID 60998445
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
N-[bis(4-chlorophenyl)methyl]cyclohexanamine
CID 97355554

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid (CID 54894372) is 2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid is O=C(O)C(NC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid?
The InChIKey is JBNGAPAOLSTKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-10-7-5-9(6-8-10)12(13(16)17)15-11-3-1-2-4-11/h5-8,11-12,15H,1-4H2,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid?
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid has a molecular weight of 253.73 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid is sourced from PubChem (CID 54894372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).