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

C14H25N3O4 — CID 61439871

IUPAC4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)N(C)CC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-10(2)8-11(13(19)20)15-14(21)16(3)9-12(18)17-6-4-5-7-17/h10-11H,4-9H2,1-3H3,(H,15,21)(H,19,20)
InChIKeyORVITYPQUQPYPN-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.75
Rot. Bonds6

About 4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid

4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid (PubChem CID 61439871) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid
PubChem CID61439871
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)N(C)CC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-10(2)8-11(13(19)20)15-14(21)16(3)9-12(18)17-6-4-5-7-17/h10-11H,4-9H2,1-3H3,(H,15,21)(H,19,20)
InChIKeyORVITYPQUQPYPN-UHFFFAOYSA-N
XLogP0.75
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid with MolForge

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Related Compounds

(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 107826693
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244
3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 81086138
(2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826694
2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 62711742
2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
(2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
CID 61164738
(2R)-4-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]pentanoic acid
CID 63234972
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 61181963
2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79801349
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-N-(2-methylpropyl)acetamide
CID 167769215
3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 115574206

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid (CID 61439871) is 4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid is CC(C)CC(NC(=O)N(C)CC(=O)N1CCCC1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is ORVITYPQUQPYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(2)8-11(13(19)20)15-14(21)16(3)9-12(18)17-6-4-5-7-17/h10-11H,4-9H2,1-3H3,(H,15,21)(H,19,20).
What are the key properties of 4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid?
4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 61439871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).