2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid

C14H18ClNO2 — CID 106817713

IUPAC2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
SMILESCc1ccc(C(NC2CCCC2)C(=O)O)cc1Cl
InChIInChI=1S/C14H18ClNO2/c1-9-6-7-10(8-12(9)15)13(14(17)18)16-11-4-2-3-5-11/h6-8,11,13,16H,2-5H2,1H3,(H,17,18)
InChIKeyFQJGIQUIPMLGHT-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.31
Rot. Bonds4

About 2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid

2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid (PubChem CID 106817713) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
PubChem CID106817713
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
SMILESCc1ccc(C(NC2CCCC2)C(=O)O)cc1Cl
InChIInChI=1S/C14H18ClNO2/c1-9-6-7-10(8-12(9)15)13(14(17)18)16-11-4-2-3-5-11/h6-8,11,13,16H,2-5H2,1H3,(H,17,18)
InChIKeyFQJGIQUIPMLGHT-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81146022
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid
CID 54893022
methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
CID 54894017
2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81437595
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146254
2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid
CID 60998445
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60997589
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880
2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid
CID 116857198

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid (CID 106817713) is 2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid is Cc1ccc(C(NC2CCCC2)C(=O)O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid?
The InChIKey is FQJGIQUIPMLGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-6-7-10(8-12(9)15)13(14(17)18)16-11-4-2-3-5-11/h6-8,11,13,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid?
2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid has a molecular weight of 267.76 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid is sourced from PubChem (CID 106817713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).