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

C17H24N2O2 — CID 79539513

IUPAC2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC1CCCCC1C1CCCN1
InChIInChI=1S/C17H24N2O2/c20-17(21)13-7-2-4-9-16(13)19-15-8-3-1-6-12(15)14-10-5-11-18-14/h2,4,7,9,12,14-15,18-19H,1,3,5-6,8,10-11H2,(H,20,21)
InChIKeyGDZWKEWIBSZYDT-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.11
Rot. Bonds4

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

2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid (PubChem CID 79539513) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid
PubChem CID79539513
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC1CCCCC1C1CCCN1
InChIInChI=1S/C17H24N2O2/c20-17(21)13-7-2-4-9-16(13)19-15-8-3-1-6-12(15)14-10-5-11-18-14/h2,4,7,9,12,14-15,18-19H,1,3,5-6,8,10-11H2,(H,20,21)
InChIKeyGDZWKEWIBSZYDT-UHFFFAOYSA-N
XLogP3.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid
CID 79544346
2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546515
[2-[(2-piperidin-2-ylcyclopentyl)amino]phenyl]methanol
CID 79545669
2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546508
N-(2-pyrrolidin-2-ylcyclopentyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79535830
2-propyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543974
2,3-dimethyl-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545127
2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 103478265
N-(2-pyrrolidin-2-ylcyclohexyl)-1H-indazol-4-amine
CID 79536683
4-chloro-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79549651
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546354
4-[(2-piperidin-2-ylcyclohexyl)amino]phenol
CID 79553578

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid?
The IUPAC name of 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid (CID 79539513) is 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid is O=C(O)c1ccccc1NC1CCCCC1C1CCCN1.
What is the InChIKey of 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid?
The InChIKey is GDZWKEWIBSZYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(21)13-7-2-4-9-16(13)19-15-8-3-1-6-12(15)14-10-5-11-18-14/h2,4,7,9,12,14-15,18-19H,1,3,5-6,8,10-11H2,(H,20,21).
What are the key properties of 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid?
2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid has a molecular weight of 288.39 g/mol, XLogP of 3.11, 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-ylcyclohexyl)amino]benzoic acid is sourced from PubChem (CID 79539513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).