4-amino-2-(1-aminopropyl)benzoic acid

C10H14N2O2 — CID 130001366

IUPAC4-amino-2-(1-aminopropyl)benzoic acid
SMILESCCC(N)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-2-9(12)8-5-6(11)3-4-7(8)10(13)14/h3-5,9H,2,11-12H2,1H3,(H,13,14)
InChIKeyVFVGMXQDPOYBFW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.38
Rot. Bonds3

About 4-amino-2-(1-aminopropyl)benzoic acid

4-amino-2-(1-aminopropyl)benzoic acid (PubChem CID 130001366) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-amino-2-(1-aminopropyl)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(1-aminopropyl)benzoic acid
PubChem CID130001366
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-amino-2-(1-aminopropyl)benzoic acid
SMILESCCC(N)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-2-9(12)8-5-6(11)3-4-7(8)10(13)14/h3-5,9H,2,11-12H2,1H3,(H,13,14)
InChIKeyVFVGMXQDPOYBFW-UHFFFAOYSA-N
XLogP1.38
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-aminopropyl)-4-methylaniline
CID 130000361
5-amino-2-[(1R)-1-aminopropyl]phenol
CID 130738459
4-amino-2-(chloromethyl)benzoic acid
CID 18504952
4-[(1R)-1-aminopropyl]-3-bromoaniline
CID 131173181
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
5-amino-2-(pentan-3-ylamino)benzoic acid
CID 60989133
3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid
CID 171258454
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid;hydrochloride
CID 171258455
4-amino-2-(3-methylpentanoylamino)benzoic acid
CID 114873524
2-acetyloxy-3-(1-aminopropyl)benzoic acid
CID 68635427
5-amino-2-[1-carboxypropyl(methyl)amino]benzoic acid
CID 64660956

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-aminopropyl)benzoic acid?
The IUPAC name of 4-amino-2-(1-aminopropyl)benzoic acid (CID 130001366) is 4-amino-2-(1-aminopropyl)benzoic acid.
What is the SMILES notation for 4-amino-2-(1-aminopropyl)benzoic acid?
The canonical SMILES for 4-amino-2-(1-aminopropyl)benzoic acid is CCC(N)c1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-(1-aminopropyl)benzoic acid?
The InChIKey is VFVGMXQDPOYBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-9(12)8-5-6(11)3-4-7(8)10(13)14/h3-5,9H,2,11-12H2,1H3,(H,13,14).
What are the key properties of 4-amino-2-(1-aminopropyl)benzoic acid?
4-amino-2-(1-aminopropyl)benzoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-aminopropyl)benzoic acid is sourced from PubChem (CID 130001366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).