2-(3-chloro-N-cyclopentylanilino)acetic acid

C13H16ClNO2 — CID 60833680

IUPAC2-(3-chloro-N-cyclopentylanilino)acetic acid
SMILESO=C(O)CN(c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C13H16ClNO2/c14-10-4-3-7-12(8-10)15(9-13(16)17)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2,(H,16,17)
InChIKeyODLGZALCQSQLHV-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.17
Rot. Bonds4

About 2-(3-chloro-N-cyclopentylanilino)acetic acid

2-(3-chloro-N-cyclopentylanilino)acetic acid (PubChem CID 60833680) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(3-chloro-N-cyclopentylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-N-cyclopentylanilino)acetic acid
PubChem CID60833680
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(3-chloro-N-cyclopentylanilino)acetic acid
SMILESO=C(O)CN(c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C13H16ClNO2/c14-10-4-3-7-12(8-10)15(9-13(16)17)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2,(H,16,17)
InChIKeyODLGZALCQSQLHV-UHFFFAOYSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-N-(1,1-dioxothian-4-yl)anilino)acetic acid
CID 65057995
2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid
CID 60883963
2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid
CID 83824916
2-[3-chloro-N-(thiolan-3-yl)anilino]acetic acid
CID 65058138
2-(3-chloro-N-(4-methylthiolan-3-yl)anilino)acetic acid
CID 114285261
2-(3-chloro-N-(3,3,5-trimethylcyclohexyl)anilino)acetic acid
CID 65057695
2-[cyclopentyl(pyridin-3-yl)amino]acetic acid
CID 83822381
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 61188614
2-[3-chloro-N-(cyclopropylmethylsulfonyl)anilino]acetic acid
CID 64988017
2-(4-chloro-N-(4-ethylcycloheptyl)anilino)acetic acid
CID 65087089
2-(4-chloro-N-(1-ethylazepan-4-yl)anilino)acetic acid
CID 65076537

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-cyclopentylanilino)acetic acid?
The IUPAC name of 2-(3-chloro-N-cyclopentylanilino)acetic acid (CID 60833680) is 2-(3-chloro-N-cyclopentylanilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-N-cyclopentylanilino)acetic acid?
The canonical SMILES for 2-(3-chloro-N-cyclopentylanilino)acetic acid is O=C(O)CN(c1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of 2-(3-chloro-N-cyclopentylanilino)acetic acid?
The InChIKey is ODLGZALCQSQLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-10-4-3-7-12(8-10)15(9-13(16)17)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2,(H,16,17).
What are the key properties of 2-(3-chloro-N-cyclopentylanilino)acetic acid?
2-(3-chloro-N-cyclopentylanilino)acetic acid has a molecular weight of 253.73 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-cyclopentylanilino)acetic acid is sourced from PubChem (CID 60833680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).