3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

C11H18N2O4 — CID 43354000

IUPAC3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)C1CC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-6(2)9(11(16)17)12-10(15)7-4-8(14)13(3)5-7/h6-7,9H,4-5H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyLNDSTQPFBQDTJI-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.31
Rot. Bonds4

About 3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 43354000) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID43354000
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)C1CC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-6(2)9(11(16)17)12-10(15)7-4-8(14)13(3)5-7/h6-7,9H,4-5H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyLNDSTQPFBQDTJI-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

(2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 104965003
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
tert-butyl (2S)-3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoate
CID 80703356
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065
2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 61015031
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119136960
(2S)-3-methyl-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119359431
(2S)-2-[[(2S)-2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 7631566
(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79010718
3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 81455410
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333
2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 120513243

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (CID 43354000) is 3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is CC(C)C(NC(=O)C1CC(=O)N(C)C1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is LNDSTQPFBQDTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-6(2)9(11(16)17)12-10(15)7-4-8(14)13(3)5-7/h6-7,9H,4-5H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43354000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).