2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid

C11H18N2O4 — CID 103498544

IUPAC2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C11H18N2O4/c1-6(7(2)11(16)17)10(15)12-5-8-3-4-9(14)13-8/h6-8H,3-5H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyRQIIYOLCPVGAFQ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.26
Rot. Bonds5

About 2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid

2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid (PubChem CID 103498544) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
PubChem CID103498544
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C11H18N2O4/c1-6(7(2)11(16)17)10(15)12-5-8-3-4-9(14)13-8/h6-8H,3-5H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyRQIIYOLCPVGAFQ-UHFFFAOYSA-N
XLogP-0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 80552772
(2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 78993838
3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
CID 64895784
(2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide
CID 103930019
4-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
CID 79192403
2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 65226837
2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
CID 81102695
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
2,3-dimethyl-4-[(1-methylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103498156
methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate
CID 105357507
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide
CID 95768963
2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383612

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid?
The IUPAC name of 2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid (CID 103498544) is 2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid?
The canonical SMILES for 2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid is CC(C(=O)O)C(C)C(=O)NCC1CCC(=O)N1.
What is the InChIKey of 2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid?
The InChIKey is RQIIYOLCPVGAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-6(7(2)11(16)17)10(15)12-5-8-3-4-9(14)13-8/h6-8H,3-5H2,1-2H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid?
2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid is sourced from PubChem (CID 103498544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).