1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide

C13H25N3O2 — CID 119305882

IUPAC1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1C(=O)CCCN
InChIInChI=1S/C13H25N3O2/c1-3-15(4-2)13(18)11-7-6-10-16(11)12(17)8-5-9-14/h11H,3-10,14H2,1-2H3
InChIKeyGMCVCZDPTLNHPP-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.58
Rot. Bonds6

About 1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide

1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 119305882) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID119305882
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1C(=O)CCCN
InChIInChI=1S/C13H25N3O2/c1-3-15(4-2)13(18)11-7-6-10-16(11)12(17)8-5-9-14/h11H,3-10,14H2,1-2H3
InChIKeyGMCVCZDPTLNHPP-UHFFFAOYSA-N
XLogP0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-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-aminoacetyl)-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 119305869
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
2-[propyl-[(2S)-1-tetradecanoylpyrrolidine-2-carbonyl]amino]acetic acid
CID 18664721
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
(2S)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119366282
(2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119372155
1-(2-aminopentanoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 119305878
N,N-diethyl-1-methylpyrrolidine-2-carboxamide
CID 21365849
(2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 59032011
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide (CID 119305882) is 1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)C1CCCN1C(=O)CCCN.
What is the InChIKey of 1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is GMCVCZDPTLNHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-15(4-2)13(18)11-7-6-10-16(11)12(17)8-5-9-14/h11H,3-10,14H2,1-2H3.
What are the key properties of 1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide?
1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119305882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).