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

C13H22N2O4 — CID 79806546

IUPAC2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCN1CC(C(=O)NC(CC)(CC)C(=O)O)CC1=O
InChIInChI=1S/C13H22N2O4/c1-4-13(5-2,12(18)19)14-11(17)9-7-10(16)15(6-3)8-9/h9H,4-8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyJJISWFNNKRAKRU-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.61
Rot. Bonds6

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

2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 79806546) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID79806546
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCN1CC(C(=O)NC(CC)(CC)C(=O)O)CC1=O
InChIInChI=1S/C13H22N2O4/c1-4-13(5-2,12(18)19)14-11(17)9-7-10(16)15(6-3)8-9/h9H,4-8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyJJISWFNNKRAKRU-UHFFFAOYSA-N
XLogP0.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79793392
2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 79807238
tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate
CID 95317988
4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809527
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153999
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 66171296
2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193717
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818498
(3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 124685172

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (CID 79806546) is 2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is CCN1CC(C(=O)NC(CC)(CC)C(=O)O)CC1=O.
What is the InChIKey of 2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is JJISWFNNKRAKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-4-13(5-2,12(18)19)14-11(17)9-7-10(16)15(6-3)8-9/h9H,4-8H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79806546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).