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

C12H16N2O2 — CID 104500225

IUPAC2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid
SMILESCCN(c1ccc(C(=O)O)c(N)c1)C1CC1
InChIInChI=1S/C12H16N2O2/c1-2-14(8-3-4-8)9-5-6-10(12(15)16)11(13)7-9/h5-8H,2-4,13H2,1H3,(H,15,16)
InChIKeyHRRFWWKXCUUAER-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.96
Rot. Bonds4

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

2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid (PubChem CID 104500225) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid.

Molecular Properties

Compound Name2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid
PubChem CID104500225
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid
SMILESCCN(c1ccc(C(=O)O)c(N)c1)C1CC1
InChIInChI=1S/C12H16N2O2/c1-2-14(8-3-4-8)9-5-6-10(12(15)16)11(13)7-9/h5-8H,2-4,13H2,1H3,(H,15,16)
InChIKeyHRRFWWKXCUUAER-UHFFFAOYSA-N
XLogP1.96
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.96
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-[cyclopentyl(ethyl)amino]benzoic acid
CID 113419729
2-amino-4-[cyclopropyl(propyl)amino]benzoic acid
CID 104500233
2-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 104500447
2-amino-4-[(4-ethylcyclohexyl)-methylamino]benzoic acid
CID 104500356
2-amino-4-[cyclopentyl(3-methylbutyl)amino]benzoic acid
CID 104500779
2-amino-5-[butyl(cyclopropyl)amino]benzoic acid
CID 61443820
4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid
CID 113400006
3-amino-2-[cyclopropyl(ethyl)amino]benzoic acid
CID 112578001
2-amino-5-[cyclopropyl(cyclopropylmethyl)amino]benzoic acid
CID 64520831
2-amino-4-[bis(cyclopropylmethyl)amino]benzoic acid
CID 113419827
2-amino-4-(N-ethyl-4-fluoroanilino)benzoic acid
CID 104500531
2-amino-4-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 113419748

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid?
The IUPAC name of 2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid (CID 104500225) is 2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid.
What is the SMILES notation for 2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid?
The canonical SMILES for 2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid is CCN(c1ccc(C(=O)O)c(N)c1)C1CC1.
What is the InChIKey of 2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid?
The InChIKey is HRRFWWKXCUUAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-14(8-3-4-8)9-5-6-10(12(15)16)11(13)7-9/h5-8H,2-4,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid?
2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid has a molecular weight of 220.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid is sourced from PubChem (CID 104500225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).