2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid

C13H23N3O4 — CID 79801349

IUPAC2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)N(C)CC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-4-13(2,11(18)19)14-12(20)15(3)9-10(17)16-7-5-6-8-16/h4-9H2,1-3H3,(H,14,20)(H,18,19)
InChIKeyULRPMAMQGHVNJO-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.50
Rot. Bonds5

About 2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid

2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid (PubChem CID 79801349) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
PubChem CID79801349
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)N(C)CC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-4-13(2,11(18)19)14-12(20)15(3)9-10(17)16-7-5-6-8-16/h4-9H2,1-3H3,(H,14,20)(H,18,19)
InChIKeyULRPMAMQGHVNJO-UHFFFAOYSA-N
XLogP0.50
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 115574206
2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79800918
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid
CID 65302425
(2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826694
3-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 115574208
2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid
CID 83019899
2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 62711742
(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 107826693

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid (CID 79801349) is 2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid is CCC(C)(NC(=O)N(C)CC(=O)N1CCCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
The InChIKey is ULRPMAMQGHVNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-4-13(2,11(18)19)14-12(20)15(3)9-10(17)16-7-5-6-8-16/h4-9H2,1-3H3,(H,14,20)(H,18,19).
What are the key properties of 2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 79801349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).