2-amino-N-(3-aminophenyl)propanamide

C9H13N3O — CID 110478892

IUPAC2-amino-N-(3-aminophenyl)propanamide
SMILESCC(N)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C9H13N3O/c1-6(10)9(13)12-8-4-2-3-7(11)5-8/h2-6H,10-11H2,1H3,(H,12,13)
InChIKeyBQNFQGFSSZKGRO-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.55
Rot. Bonds2

About 2-amino-N-(3-aminophenyl)propanamide

2-amino-N-(3-aminophenyl)propanamide (PubChem CID 110478892) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-amino-N-(3-aminophenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3-aminophenyl)propanamide
PubChem CID110478892
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-amino-N-(3-aminophenyl)propanamide
SMILESCC(N)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C9H13N3O/c1-6(10)9(13)12-8-4-2-3-7(11)5-8/h2-6H,10-11H2,1H3,(H,12,13)
InChIKeyBQNFQGFSSZKGRO-UHFFFAOYSA-N
XLogP0.55
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.55
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

N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
3-(2-aminopropanoylamino)benzamide
CID 61258270
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
(2R)-2-amino-N-phenylpropanamide
CID 10607114
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-aminophenyl)propanamide?
The IUPAC name of 2-amino-N-(3-aminophenyl)propanamide (CID 110478892) is 2-amino-N-(3-aminophenyl)propanamide.
What is the SMILES notation for 2-amino-N-(3-aminophenyl)propanamide?
The canonical SMILES for 2-amino-N-(3-aminophenyl)propanamide is CC(N)C(=O)Nc1cccc(N)c1.
What is the InChIKey of 2-amino-N-(3-aminophenyl)propanamide?
The InChIKey is BQNFQGFSSZKGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6(10)9(13)12-8-4-2-3-7(11)5-8/h2-6H,10-11H2,1H3,(H,12,13).
What are the key properties of 2-amino-N-(3-aminophenyl)propanamide?
2-amino-N-(3-aminophenyl)propanamide has a molecular weight of 179.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-aminophenyl)propanamide is sourced from PubChem (CID 110478892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).