3-aminobenzoic acid;azane

C7H10N2O2 — CID 159954068

IUPAC3-aminobenzoic acid;azane
SMILESN.Nc1cccc(C(=O)O)c1
InChIInChI=1S/C7H7NO2.H3N/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,8H2,(H,9,10);1H3
InChIKeyOCMIMTGYXLLDHV-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.13
Rot. Bonds1

About 3-aminobenzoic acid;azane

3-aminobenzoic acid;azane (PubChem CID 159954068) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-aminobenzoic acid;azane.

Molecular Properties

Compound Name3-aminobenzoic acid;azane
PubChem CID159954068
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-aminobenzoic acid;azane
SMILESN.Nc1cccc(C(=O)O)c1
InChIInChI=1S/C7H7NO2.H3N/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,8H2,(H,9,10);1H3
InChIKeyOCMIMTGYXLLDHV-UHFFFAOYSA-N
XLogP1.13
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.13
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-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
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3-aminobenzoic acid;prop-1-yne
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3-aminobenzoic acid;ethoxyethane
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(3-aminophenyl)-phenylmethanone
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3-[(E)-2-(3-aminophenyl)-1,2-diphenylethenyl]aniline
CID 101105697
(3-aminobenzoyl)azanium
CID 142343873
3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
CID 10428749
3-aminobenzoic acid;hex-2-yne
CID 70506207
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Frequently Asked Questions

What is the IUPAC name of 3-aminobenzoic acid;azane?
The IUPAC name of 3-aminobenzoic acid;azane (CID 159954068) is 3-aminobenzoic acid;azane.
What is the SMILES notation for 3-aminobenzoic acid;azane?
The canonical SMILES for 3-aminobenzoic acid;azane is N.Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-aminobenzoic acid;azane?
The InChIKey is OCMIMTGYXLLDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.H3N/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,8H2,(H,9,10);1H3.
What are the key properties of 3-aminobenzoic acid;azane?
3-aminobenzoic acid;azane has a molecular weight of 154.17 g/mol, XLogP of 1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobenzoic acid;azane is sourced from PubChem (CID 159954068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).