3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

C10H16N2O4 — CID 81455410

IUPAC3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)C1CNC(=O)C1)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-5(2)8(10(15)16)12-9(14)6-3-7(13)11-4-6/h5-6,8H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyHXSRQQQTBLEJEA-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.65
Rot. Bonds4

About 3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 81455410) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID81455410
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)C1CNC(=O)C1)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-5(2)8(10(15)16)12-9(14)6-3-7(13)11-4-6/h5-6,8H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyHXSRQQQTBLEJEA-UHFFFAOYSA-N
XLogP-0.65
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic 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-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981655
3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 83192584
(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid
CID 129380712
N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide
CID 115692112
5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 83193053
(2S)-3-methyl-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 63006443
3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43354000
5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 78981922
N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 78982142
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107820415

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (CID 81455410) is 3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is CC(C)C(NC(=O)C1CNC(=O)C1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is HXSRQQQTBLEJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-5(2)8(10(15)16)12-9(14)6-3-7(13)11-4-6/h5-6,8H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 81455410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).