2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid

C16H22N2O2 — CID 79544346

IUPAC2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC1CCCC1C1CCCN1
InChIInChI=1S/C16H22N2O2/c19-16(20)12-5-1-2-7-15(12)18-14-8-3-6-11(14)13-9-4-10-17-13/h1-2,5,7,11,13-14,17-18H,3-4,6,8-10H2,(H,19,20)
InChIKeyNTIRQRHBUSZNCU-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.72
Rot. Bonds4

About 2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid

2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid (PubChem CID 79544346) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid
PubChem CID79544346
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC1CCCC1C1CCCN1
InChIInChI=1S/C16H22N2O2/c19-16(20)12-5-1-2-7-15(12)18-14-8-3-6-11(14)13-9-4-10-17-13/h1-2,5,7,11,13-14,17-18H,3-4,6,8-10H2,(H,19,20)
InChIKeyNTIRQRHBUSZNCU-UHFFFAOYSA-N
XLogP2.72
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid
CID 79539513
2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546515
[2-[(2-piperidin-2-ylcyclopentyl)amino]phenyl]methanol
CID 79545669
N-(2-pyrrolidin-2-ylcyclopentyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79535830
2-propyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543974
2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 103478265
2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546508
2,3-dimethyl-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545127
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid
CID 114121676
4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107787547
N-(2-pyrrolidin-2-ylcyclohexyl)-1H-indazol-4-amine
CID 79536683

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid?
The IUPAC name of 2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid (CID 79544346) is 2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid is O=C(O)c1ccccc1NC1CCCC1C1CCCN1.
What is the InChIKey of 2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid?
The InChIKey is NTIRQRHBUSZNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(20)12-5-1-2-7-15(12)18-14-8-3-6-11(14)13-9-4-10-17-13/h1-2,5,7,11,13-14,17-18H,3-4,6,8-10H2,(H,19,20).
What are the key properties of 2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid?
2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid has a molecular weight of 274.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid is sourced from PubChem (CID 79544346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).