4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid

C11H18N2O4 — CID 54885988

IUPAC4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCCC1CCCN1C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C11H18N2O4/c1-2-8-4-3-7-13(8)11(17)12-9(14)5-6-10(15)16/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyHMBRRUHJHFYNBD-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.96
Rot. Bonds4

About 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid

4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 54885988) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
PubChem CID54885988
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCCC1CCCN1C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C11H18N2O4/c1-2-8-4-3-7-13(8)11(17)12-9(14)5-6-10(15)16/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyHMBRRUHJHFYNBD-UHFFFAOYSA-N
XLogP0.96
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid 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

6-[(2-ethylazepane-1-carbonyl)amino]-6-oxohexanoic acid
CID 104690464
4-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 62889344
4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61208817
3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
CID 61194702
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
CID 61207841
(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid
CID 107838651
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534953
4-[(2-ethylazepane-1-carbonyl)amino]butanoic acid
CID 104690969
5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 43117881
6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 43447279

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid (CID 54885988) is 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid is CCC1CCCN1C(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is HMBRRUHJHFYNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-8-4-3-7-13(8)11(17)12-9(14)5-6-10(15)16/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17).
What are the key properties of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid?
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 242.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 54885988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).