2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid

C12H18N2O4 — CID 83191714

IUPAC2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C1CNC(=O)C1
InChIInChI=1S/C12H18N2O4/c1-2-12(11(17)18)4-3-5-14(12)10(16)8-6-9(15)13-7-8/h8H,2-7H2,1H3,(H,13,15)(H,17,18)
InChIKeyKCPUUVOFNWZIMY-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.02
Rot. Bonds3

About 2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 83191714) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID83191714
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C1CNC(=O)C1
InChIInChI=1S/C12H18N2O4/c1-2-12(11(17)18)4-3-5-14(12)10(16)8-6-9(15)13-7-8/h8H,2-7H2,1H3,(H,13,15)(H,17,18)
InChIKeyKCPUUVOFNWZIMY-UHFFFAOYSA-N
XLogP-0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(4-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 83075872
1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83059785
2-ethyl-1-(oxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83075884
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977188
4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 78957612
2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 83076202
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977101
1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070879
N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 66754582
1-(3-aminopropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071327

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 83191714) is 2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)C1CNC(=O)C1.
What is the InChIKey of 2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KCPUUVOFNWZIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-12(11(17)18)4-3-5-14(12)10(16)8-6-9(15)13-7-8/h8H,2-7H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83191714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).