2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid

C14H20N2O2 — CID 113419729

IUPAC2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid
SMILESCCN(c1ccc(C(=O)O)c(N)c1)C1CCCC1
InChIInChI=1S/C14H20N2O2/c1-2-16(10-5-3-4-6-10)11-7-8-12(14(17)18)13(15)9-11/h7-10H,2-6,15H2,1H3,(H,17,18)
InChIKeyKZVUTBFYPRQNKU-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.74
Rot. Bonds4

About 2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid

2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid (PubChem CID 113419729) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid.

Molecular Properties

Compound Name2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid
PubChem CID113419729
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid
SMILESCCN(c1ccc(C(=O)O)c(N)c1)C1CCCC1
InChIInChI=1S/C14H20N2O2/c1-2-16(10-5-3-4-6-10)11-7-8-12(14(17)18)13(15)9-11/h7-10H,2-6,15H2,1H3,(H,17,18)
InChIKeyKZVUTBFYPRQNKU-UHFFFAOYSA-N
XLogP2.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid
CID 104500225
2-amino-4-[cyclopropyl(propyl)amino]benzoic acid
CID 104500233
2-amino-4-[cyclopentyl(3-methylbutyl)amino]benzoic acid
CID 104500779
2-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 104500447
4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine
CID 43540845
1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine
CID 56831959
2-amino-4-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 113419748
2-amino-4-[(4-ethylcyclohexyl)-methylamino]benzoic acid
CID 104500356
4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid
CID 113400006
2-amino-5-[butyl(cyclopropyl)amino]benzoic acid
CID 61443820
2-amino-4-[bis(cyclopropylmethyl)amino]benzoic acid
CID 113419827
4-[cyclopentyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 107935599

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid?
The IUPAC name of 2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid (CID 113419729) is 2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid.
What is the SMILES notation for 2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid?
The canonical SMILES for 2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid is CCN(c1ccc(C(=O)O)c(N)c1)C1CCCC1.
What is the InChIKey of 2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid?
The InChIKey is KZVUTBFYPRQNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-16(10-5-3-4-6-10)11-7-8-12(14(17)18)13(15)9-11/h7-10H,2-6,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid?
2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid is sourced from PubChem (CID 113419729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).