3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid

C13H24N2O3 — CID 63148953

IUPAC3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCCC(C)NC(=O)CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-4-5-10(2)14-11(16)8-15-7-6-13(3,9-15)12(17)18/h10H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyBIWMPOITYPROHZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds6

About 3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63148953) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID63148953
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCCC(C)NC(=O)CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-4-5-10(2)14-11(16)8-15-7-6-13(3,9-15)12(17)18/h10H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyBIWMPOITYPROHZ-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic 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

N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728598
1-[2-[di(propan-2-yl)amino]-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63148071
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148782
1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147801
4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 63124532
3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 63147684
2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide
CID 104975433
1-(2-ethylbutyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65064170
4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid
CID 55176993
N-butan-2-yl-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 113283097
3-methyl-1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148115

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid (CID 63148953) is 3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid is CCCC(C)NC(=O)CN1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BIWMPOITYPROHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-5-10(2)14-11(16)8-15-7-6-13(3,9-15)12(17)18/h10H,4-9H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).