N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride

C13H27Cl2N3O — CID 119612936

IUPACN-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride
SMILESCCCN1CCCC1C(=O)NC(CN)C1CC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-2-7-16-8-3-4-12(16)13(17)15-11(9-14)10-5-6-10;;/h10-12H,2-9,14H2,1H3,(H,15,17);2*1H
InChIKeyQGBVKVXYWXGEDU-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.56
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119612936) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119612936
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride
SMILESCCCN1CCCC1C(=O)NC(CN)C1CC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-2-7-16-8-3-4-12(16)13(17)15-11(9-14)10-5-6-10;;/h10-12H,2-9,14H2,1H3,(H,15,17);2*1H
InChIKeyQGBVKVXYWXGEDU-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119369844
N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119614467
1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119588926
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid
CID 23184420
1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 142928283
N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
CID 81485419
N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 119612884
(2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide
CID 141479965
3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119591920
N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide
CID 11572624

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride (CID 119612936) is N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride is CCCN1CCCC1C(=O)NC(CN)C1CC1.Cl.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is QGBVKVXYWXGEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c1-2-7-16-8-3-4-12(16)13(17)15-11(9-14)10-5-6-10;;/h10-12H,2-9,14H2,1H3,(H,15,17);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119612936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).