2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid

C13H22N2O4 — CID 119346721

IUPAC2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCCC(CC)N1CC(C(=O)N(C)CC(=O)O)CC1=O
InChIInChI=1S/C13H22N2O4/c1-4-10(5-2)15-7-9(6-11(15)16)13(19)14(3)8-12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyPPFDTPLOIFDCLG-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.57
Rot. Bonds6

About 2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid

2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 119346721) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID119346721
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCCC(CC)N1CC(C(=O)N(C)CC(=O)O)CC1=O
InChIInChI=1S/C13H22N2O4/c1-4-10(5-2)15-7-9(6-11(15)16)13(19)14(3)8-12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyPPFDTPLOIFDCLG-UHFFFAOYSA-N
XLogP0.57
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197
N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 112826793
N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826789
1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168695710
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826684
N-methyl-5-oxo-1-pentan-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 112826771
N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826714
2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119349166
N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 120649054
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119172024
1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355319

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid (CID 119346721) is 2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid is CCC(CC)N1CC(C(=O)N(C)CC(=O)O)CC1=O.
What is the InChIKey of 2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is PPFDTPLOIFDCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-4-10(5-2)15-7-9(6-11(15)16)13(19)14(3)8-12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid?
2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 119346721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).