2-aminobenzoic acid;propanoic acid

C10H13NO4 — CID 67067565

IUPAC2-aminobenzoic acid;propanoic acid
SMILESCCC(=O)O.Nc1ccccc1C(=O)O
InChIInChI=1S/C7H7NO2.C3H6O2/c8-6-4-2-1-3-5(6)7(9)10;1-2-3(4)5/h1-4H,8H2,(H,9,10);2H2,1H3,(H,4,5)
InChIKeyYVFPISFGSXRMPM-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.45
Rot. Bonds2

About 2-aminobenzoic acid;propanoic acid

2-aminobenzoic acid;propanoic acid (PubChem CID 67067565) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-aminobenzoic acid;propanoic acid.

Molecular Properties

Compound Name2-aminobenzoic acid;propanoic acid
PubChem CID67067565
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-aminobenzoic acid;propanoic acid
SMILESCCC(=O)O.Nc1ccccc1C(=O)O
InChIInChI=1S/C7H7NO2.C3H6O2/c8-6-4-2-1-3-5(6)7(9)10;1-2-3(4)5/h1-4H,8H2,(H,9,10);2H2,1H3,(H,4,5)
InChIKeyYVFPISFGSXRMPM-UHFFFAOYSA-N
XLogP1.45
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-aminobenzoic acid;propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-aminobenzoic acid);nickel
CID 73156847
benzene-1,2-diamine;propanoic acid
CID 158630762
CID 172796646
CID 172796646
2-aminobenzoic acid;hydrate
CID 70144361
2-aminobenzoic acid;azane
CID 21425790
2-aminobenzoic acid;N,N-diethylethanamine
CID 69228024
2-aminobenzoic acid;urea
CID 158027537
2-aminobenzoic acid;carbamic acid;hydrochloride
CID 67293810
2-aminobenzoic acid;2-aminophenol
CID 23062986
2-aminobenzoic acid;(Z)-hex-3-en-1-ol
CID 170839985
acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid
CID 174788541
2-aminobenzoic acid;3-aminobutanamide
CID 175052233

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzoic acid;propanoic acid?
The IUPAC name of 2-aminobenzoic acid;propanoic acid (CID 67067565) is 2-aminobenzoic acid;propanoic acid.
What is the SMILES notation for 2-aminobenzoic acid;propanoic acid?
The canonical SMILES for 2-aminobenzoic acid;propanoic acid is CCC(=O)O.Nc1ccccc1C(=O)O.
What is the InChIKey of 2-aminobenzoic acid;propanoic acid?
The InChIKey is YVFPISFGSXRMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C3H6O2/c8-6-4-2-1-3-5(6)7(9)10;1-2-3(4)5/h1-4H,8H2,(H,9,10);2H2,1H3,(H,4,5).
What are the key properties of 2-aminobenzoic acid;propanoic acid?
2-aminobenzoic acid;propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzoic acid;propanoic acid is sourced from PubChem (CID 67067565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).