1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride

C15H28ClN3O2 — CID 119588926

IUPAC1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(=O)N1CCCC1C(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-11(19)18-9-5-8-14(18)15(20)17-13(10-16)12-6-3-2-4-7-12;/h12-14H,2-10,16H2,1H3,(H,17,20);1H
InChIKeyVVJGWXYFOAOGGP-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.44
Rot. Bonds4

About 1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride

1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119588926) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119588926
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(=O)N1CCCC1C(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-11(19)18-9-5-8-14(18)15(20)17-13(10-16)12-6-3-2-4-7-12;/h12-14H,2-10,16H2,1H3,(H,17,20);1H
InChIKeyVVJGWXYFOAOGGP-UHFFFAOYSA-N
XLogP1.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride
CID 119612936
3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119591920
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
1-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119605429
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
N-(2-amino-1-cyclopentylethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106737463
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120653066
N-(2-amino-1-cyclopropylethyl)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxamide
CID 119613771
N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119589481

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119588926) is 1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride is CC(=O)N1CCCC1C(=O)NC(CN)C1CCCCC1.Cl.
What is the InChIKey of 1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is VVJGWXYFOAOGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-11(19)18-9-5-8-14(18)15(20)17-13(10-16)12-6-3-2-4-7-12;/h12-14H,2-10,16H2,1H3,(H,17,20);1H.
What are the key properties of 1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride?
1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119588926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).