3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride

C14H20ClN3O2 — CID 119296114

IUPAC3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1cccc(C(=O)NC2CC2)c1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-9(15)13(18)16-8-10-3-2-4-11(7-10)14(19)17-12-5-6-12;/h2-4,7,9,12H,5-6,8,15H2,1H3,(H,16,18)(H,17,19);1H/t9-;/m1./s1
InChIKeyWIIDPJFRGJHQAL-SBSPUUFOSA-N
MW297.79 g/mol
LogP0.96
Rot. Bonds5

About 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride

3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride (PubChem CID 119296114) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride
PubChem CID119296114
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1cccc(C(=O)NC2CC2)c1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-9(15)13(18)16-8-10-3-2-4-11(7-10)14(19)17-12-5-6-12;/h2-4,7,9,12H,5-6,8,15H2,1H3,(H,16,18)(H,17,19);1H/t9-;/m1./s1
InChIKeyWIIDPJFRGJHQAL-SBSPUUFOSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride 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

3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119867722
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119289031
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719987
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide
CID 97077046
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 119719988

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride?
The IUPAC name of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride (CID 119296114) is 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride?
The canonical SMILES for 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride is C[C@@H](N)C(=O)NCc1cccc(C(=O)NC2CC2)c1.Cl.
What is the InChIKey of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride?
The InChIKey is WIIDPJFRGJHQAL-SBSPUUFOSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-9(15)13(18)16-8-10-3-2-4-11(7-10)14(19)17-12-5-6-12;/h2-4,7,9,12H,5-6,8,15H2,1H3,(H,16,18)(H,17,19);1H/t9-;/m1./s1.
What are the key properties of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride?
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride is sourced from PubChem (CID 119296114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).