2-aminobenzoic acid;3-aminobutanamide

C11H17N3O3 — CID 175052233

IUPAC2-aminobenzoic acid;3-aminobutanamide
SMILESCC(N)CC(N)=O.Nc1ccccc1C(=O)O
InChIInChI=1S/C7H7NO2.C4H10N2O/c8-6-4-2-1-3-5(6)7(9)10;1-3(5)2-4(6)7/h1-4H,8H2,(H,9,10);3H,2,5H2,1H3,(H2,6,7)
InChIKeyUBSNJKHOLLYCHM-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.18
Rot. Bonds3

About 2-aminobenzoic acid;3-aminobutanamide

2-aminobenzoic acid;3-aminobutanamide (PubChem CID 175052233) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-aminobenzoic acid;3-aminobutanamide.

Molecular Properties

Compound Name2-aminobenzoic acid;3-aminobutanamide
PubChem CID175052233
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name2-aminobenzoic acid;3-aminobutanamide
SMILESCC(N)CC(N)=O.Nc1ccccc1C(=O)O
InChIInChI=1S/C7H7NO2.C4H10N2O/c8-6-4-2-1-3-5(6)7(9)10;1-3(5)2-4(6)7/h1-4H,8H2,(H,9,10);3H,2,5H2,1H3,(H2,6,7)
InChIKeyUBSNJKHOLLYCHM-UHFFFAOYSA-N
XLogP0.18
TPSA132.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 73156847
CID 172796646
CID 172796646
2-aminobenzoic acid;azane
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2-aminobenzoic acid;hydrate
CID 70144361
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2-aminobenzoic acid;N,N-diethylethanamine
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2-[(2R)-2-aminopropyl]benzoic acid
CID 20581914
2-amino-3-[(3R)-3-aminobutanoyl]benzoic acid
CID 23405622
2-aminobenzoic acid;2-aminophenol
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2-aminobenzoic acid;1-methyl-4-propan-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of 2-aminobenzoic acid;3-aminobutanamide?
The IUPAC name of 2-aminobenzoic acid;3-aminobutanamide (CID 175052233) is 2-aminobenzoic acid;3-aminobutanamide.
What is the SMILES notation for 2-aminobenzoic acid;3-aminobutanamide?
The canonical SMILES for 2-aminobenzoic acid;3-aminobutanamide is CC(N)CC(N)=O.Nc1ccccc1C(=O)O.
What is the InChIKey of 2-aminobenzoic acid;3-aminobutanamide?
The InChIKey is UBSNJKHOLLYCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C4H10N2O/c8-6-4-2-1-3-5(6)7(9)10;1-3(5)2-4(6)7/h1-4H,8H2,(H,9,10);3H,2,5H2,1H3,(H2,6,7).
What are the key properties of 2-aminobenzoic acid;3-aminobutanamide?
2-aminobenzoic acid;3-aminobutanamide has a molecular weight of 239.28 g/mol, XLogP of 0.18, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzoic acid;3-aminobutanamide is sourced from PubChem (CID 175052233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).