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

C13H20ClN3O2 — CID 119287449

IUPAC3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1cccc(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9(14)12(17)15-8-10-5-4-6-11(7-10)13(18)16(2)3;/h4-7,9H,8,14H2,1-3H3,(H,15,17);1H/t9-;/m1./s1
InChIKeyLPOLBSBNZCJARV-SBSPUUFOSA-N
MW285.78 g/mol
LogP0.77
Rot. Bonds4

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

3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride (PubChem CID 119287449) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
PubChem CID119287449
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1cccc(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9(14)12(17)15-8-10-5-4-6-11(7-10)13(18)16(2)3;/h4-7,9H,8,14H2,1-3H3,(H,15,17);1H/t9-;/m1./s1
InChIKeyLPOLBSBNZCJARV-SBSPUUFOSA-N
XLogP0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119867722
3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119289031
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride
CID 119296114
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide
CID 46424518
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 120563368
3-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
CID 76894229

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride (CID 119287449) is 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride is C[C@@H](N)C(=O)NCc1cccc(C(=O)N(C)C)c1.Cl.
What is the InChIKey of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is LPOLBSBNZCJARV-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-9(14)12(17)15-8-10-5-4-6-11(7-10)13(18)16(2)3;/h4-7,9H,8,14H2,1-3H3,(H,15,17);1H/t9-;/m1./s1.
What are the key properties of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride?
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119287449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).