1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride

C10H20ClN3O2 — CID 119736640

IUPAC1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1CCCN1C(=O)CC(C)N.Cl
InChIInChI=1S/C10H19N3O2.ClH/c1-7(11)6-9(14)13-5-3-4-8(13)10(15)12-2;/h7-8H,3-6,11H2,1-2H3,(H,12,15);1H
InChIKeyHCXACDCLZQBPQA-UHFFFAOYSA-N
MW249.74 g/mol
LogP-0.12
Rot. Bonds3

About 1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride

1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119736640) has the molecular formula C10H20ClN3O2 and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119736640
Molecular FormulaC10H20ClN3O2
Molecular Weight249.74 g/mol
Exact Mass249.12
IUPAC Name1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1CCCN1C(=O)CC(C)N.Cl
InChIInChI=1S/C10H19N3O2.ClH/c1-7(11)6-9(14)13-5-3-4-8(13)10(15)12-2;/h7-8H,3-6,11H2,1-2H3,(H,12,15);1H
InChIKeyHCXACDCLZQBPQA-UHFFFAOYSA-N
XLogP-0.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953494
1-(3-aminobutanoyl)piperidine-2-carboxylic acid
CID 61156814
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60954201
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 119042843
1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 120606534
N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119736624
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride (CID 119736640) is 1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride is CNC(=O)C1CCCN1C(=O)CC(C)N.Cl.
What is the InChIKey of 1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is HCXACDCLZQBPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2.ClH/c1-7(11)6-9(14)13-5-3-4-8(13)10(15)12-2;/h7-8H,3-6,11H2,1-2H3,(H,12,15);1H.
What are the key properties of 1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride?
1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119736640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).