3-(2-aminopropanoylamino)benzamide

C10H13N3O2 — CID 61258270

IUPAC3-(2-aminopropanoylamino)benzamide
SMILESCC(N)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C10H13N3O2/c1-6(11)10(15)13-8-4-2-3-7(5-8)9(12)14/h2-6H,11H2,1H3,(H2,12,14)(H,13,15)
InChIKeyAAHJHUJAWFPAHG-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.07
Rot. Bonds3

About 3-(2-aminopropanoylamino)benzamide

3-(2-aminopropanoylamino)benzamide (PubChem CID 61258270) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(2-aminopropanoylamino)benzamide.

Molecular Properties

Compound Name3-(2-aminopropanoylamino)benzamide
PubChem CID61258270
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(2-aminopropanoylamino)benzamide
SMILESCC(N)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C10H13N3O2/c1-6(11)10(15)13-8-4-2-3-7(5-8)9(12)14/h2-6H,11H2,1H3,(H2,12,14)(H,13,15)
InChIKeyAAHJHUJAWFPAHG-UHFFFAOYSA-N
XLogP0.07
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
(2R)-2-amino-N-phenylpropanamide
CID 10607114
3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide
CID 107811857
2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride
CID 119314355
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
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 3-(2-aminopropanoylamino)benzamide?
The IUPAC name of 3-(2-aminopropanoylamino)benzamide (CID 61258270) is 3-(2-aminopropanoylamino)benzamide.
What is the SMILES notation for 3-(2-aminopropanoylamino)benzamide?
The canonical SMILES for 3-(2-aminopropanoylamino)benzamide is CC(N)C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(2-aminopropanoylamino)benzamide?
The InChIKey is AAHJHUJAWFPAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6(11)10(15)13-8-4-2-3-7(5-8)9(12)14/h2-6H,11H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 3-(2-aminopropanoylamino)benzamide?
3-(2-aminopropanoylamino)benzamide has a molecular weight of 207.23 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropanoylamino)benzamide is sourced from PubChem (CID 61258270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).