4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride

C14H20ClN3O2 — CID 119291590

IUPAC4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
SMILESC[C@@H](N)C(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-9(15)14(19)17(12-6-7-12)8-10-2-4-11(5-3-10)13(16)18;/h2-5,9,12H,6-8,15H2,1H3,(H2,16,18);1H/t9-;/m1./s1
InChIKeyLXYWQSOTCDSDIG-SBSPUUFOSA-N
MW297.79 g/mol
LogP1.05
Rot. Bonds5

About 4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride

4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride (PubChem CID 119291590) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
PubChem CID119291590
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
SMILESC[C@@H](N)C(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-9(15)14(19)17(12-6-7-12)8-10-2-4-11(5-3-10)13(16)18;/h2-5,9,12H,6-8,15H2,1H3,(H2,16,18);1H/t9-;/m1./s1
InChIKeyLXYWQSOTCDSDIG-SBSPUUFOSA-N
XLogP1.05
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide
CID 39881839
(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide
CID 99704867
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide
CID 36965111
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide
CID 77144541
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 61165448
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
CID 61173219

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride?
The IUPAC name of 4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride (CID 119291590) is 4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride?
The canonical SMILES for 4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride is C[C@@H](N)C(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1.Cl.
What is the InChIKey of 4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride?
The InChIKey is LXYWQSOTCDSDIG-SBSPUUFOSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-9(15)14(19)17(12-6-7-12)8-10-2-4-11(5-3-10)13(16)18;/h2-5,9,12H,6-8,15H2,1H3,(H2,16,18);1H/t9-;/m1./s1.
What are the key properties of 4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride?
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119291590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).