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

C12H21N3O4 — CID 113406371

IUPAC4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C12H21N3O4/c1-14(6-4-5-11(17)18)12(19)13-9-10(16)15-7-2-3-8-15/h2-9H2,1H3,(H,13,19)(H,17,18)
InChIKeyASEXWWUWWRFLNG-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.12
Rot. Bonds6

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

4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid (PubChem CID 113406371) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
PubChem CID113406371
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C12H21N3O4/c1-14(6-4-5-11(17)18)12(19)13-9-10(16)15-7-2-3-8-15/h2-9H2,1H3,(H,13,19)(H,17,18)
InChIKeyASEXWWUWWRFLNG-UHFFFAOYSA-N
XLogP0.12
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
CID 43151937
4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
CID 54925850
4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid
CID 114101324
3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 113408721
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-N-(2-methylpropyl)acetamide
CID 167769215
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-methylamino]butanoic acid
CID 55005650
4-[methyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]butanoic acid
CID 114139559
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid
CID 43592289
3-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 115574208
2-[acetyl(methyl)amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 56811944
2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 107439195
3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82327001

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid (CID 113406371) is 4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
The InChIKey is ASEXWWUWWRFLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-14(6-4-5-11(17)18)12(19)13-9-10(16)15-7-2-3-8-15/h2-9H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 113406371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).