(2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid

C11H18N2O4 — CID 61144089

IUPAC(2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid
SMILESCC(C)(C)[C@H](NC(=O)C1CCC(=O)N1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-11(2,3)8(10(16)17)13-9(15)6-4-5-7(14)12-6/h6,8H,4-5H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)/t6?,8-/m1/s1
InChIKeyGFFKKOMRDNZXQC-QFSRMBNQSA-N
MW242.27 g/mol
LogP-0.12
Rot. Bonds3

About (2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid

(2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid (PubChem CID 61144089) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid
PubChem CID61144089
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name(2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid
SMILESCC(C)(C)[C@H](NC(=O)C1CCC(=O)N1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-11(2,3)8(10(16)17)13-9(15)6-4-5-7(14)12-6/h6,8H,4-5H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)/t6?,8-/m1/s1
InChIKeyGFFKKOMRDNZXQC-QFSRMBNQSA-N
XLogP-0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-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

(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 83192584
(2R)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 103941043
tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 103762213
3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 131841435
4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104769141
(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 71407874
2-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid
CID 61261305
(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 101002831
(2R)-N-[(2R)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 104872886
(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 70530537
(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid
CID 61145312

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid (CID 61144089) is (2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid is CC(C)(C)[C@H](NC(=O)C1CCC(=O)N1)C(=O)O.
What is the InChIKey of (2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid?
The InChIKey is GFFKKOMRDNZXQC-QFSRMBNQSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-11(2,3)8(10(16)17)13-9(15)6-4-5-7(14)12-6/h6,8H,4-5H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)/t6?,8-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid?
(2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61144089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).