N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride

C15H30ClN3O2 — CID 119658832

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
SMILESCCC(C(=O)N(C)CCC(N)C(C)C)N1CCCC1=O.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-5-13(18-9-6-7-14(18)19)15(20)17(4)10-8-12(16)11(2)3;/h11-13H,5-10,16H2,1-4H3;1H
InChIKeyOJMSPOJXOJEWJS-UHFFFAOYSA-N
MW319.88 g/mol
LogP1.64
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride (PubChem CID 119658832) has the molecular formula C15H30ClN3O2 and a molecular weight of 319.88 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
PubChem CID119658832
Molecular FormulaC15H30ClN3O2
Molecular Weight319.88 g/mol
Exact Mass319.20
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
SMILESCCC(C(=O)N(C)CCC(N)C(C)C)N1CCCC1=O.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-5-13(18-9-6-7-14(18)19)15(20)17(4)10-8-12(16)11(2)3;/h11-13H,5-10,16H2,1-4H3;1H
InChIKeyOJMSPOJXOJEWJS-UHFFFAOYSA-N
XLogP1.64
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
CID 119660883
N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119660737
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine
CID 162152790
N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 75496726
N-(cyanomethyl)-2-(2-oxopyrrolidin-1-yl)-N-propylbutanamide
CID 86819189
(2S)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 125139710
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
butyl 2-(2-oxopyrrolidin-1-yl)butanoate
CID 142211549
(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 68508171

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride (CID 119658832) is N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride is CCC(C(=O)N(C)CCC(N)C(C)C)N1CCCC1=O.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride?
The InChIKey is OJMSPOJXOJEWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.ClH/c1-5-13(18-9-6-7-14(18)19)15(20)17(4)10-8-12(16)11(2)3;/h11-13H,5-10,16H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride is sourced from PubChem (CID 119658832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).