N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

C13H26N4O2 — CID 119497303

IUPACN-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(N)CCNC(=O)C1CC(=O)N(CCN(C)C)C1
InChIInChI=1S/C13H26N4O2/c1-10(14)4-5-15-13(19)11-8-12(18)17(9-11)7-6-16(2)3/h10-11H,4-9,14H2,1-3H3,(H,15,19)
InChIKeyDRELXOSFDMPCSO-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.75
Rot. Bonds7

About N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 119497303) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID119497303
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(N)CCNC(=O)C1CC(=O)N(CCN(C)C)C1
InChIInChI=1S/C13H26N4O2/c1-10(14)4-5-15-13(19)11-8-12(18)17(9-11)7-6-16(2)3/h10-11H,4-9,14H2,1-3H3,(H,15,19)
InChIKeyDRELXOSFDMPCSO-UHFFFAOYSA-N
XLogP-0.75
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787285
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119641855
(3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 96568281
(3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide
CID 42395118
(3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97208382
(2S)-2-[[(3R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 125119938
N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 119480879
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119372569

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 119497303) is N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is CC(N)CCNC(=O)C1CC(=O)N(CCN(C)C)C1.
What is the InChIKey of N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DRELXOSFDMPCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-10(14)4-5-15-13(19)11-8-12(18)17(9-11)7-6-16(2)3/h10-11H,4-9,14H2,1-3H3,(H,15,19).
What are the key properties of N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of -0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119497303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).