2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

C12H20N2O4 — CID 79807238

IUPAC2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)C1CC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-4-12(5-2,11(17)18)13-10(16)8-6-9(15)14(3)7-8/h8H,4-7H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyDBKYPKZZUUUKEJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.22
Rot. Bonds5

About 2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 79807238) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID79807238
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)C1CC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-4-12(5-2,11(17)18)13-10(16)8-6-9(15)14(3)7-8/h8H,4-7H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyDBKYPKZZUUUKEJ-UHFFFAOYSA-N
XLogP0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 79806546
2-(4-chlorophenyl)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 120977684
N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 105058823
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193717
N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 115877696
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79793392
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 104981078
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 62519112
4-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525988

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (CID 79807238) is 2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is CCC(CC)(NC(=O)C1CC(=O)N(C)C1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is DBKYPKZZUUUKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-4-12(5-2,11(17)18)13-10(16)8-6-9(15)14(3)7-8/h8H,4-7H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79807238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).