2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C13H20N2O4 — CID 64813928

IUPAC2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CN1CCCC1=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H20N2O4/c16-11(8-15-7-3-6-12(15)17)14-10-5-2-1-4-9(10)13(18)19/h9-10H,1-8H2,(H,14,16)(H,18,19)
InChIKeyYBUGKYSDGSUKGQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.37
Rot. Bonds4

About 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 64813928) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID64813928
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CN1CCCC1=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H20N2O4/c16-11(8-15-7-3-6-12(15)17)14-10-5-2-1-4-9(10)13(18)19/h9-10H,1-8H2,(H,14,16)(H,18,19)
InChIKeyYBUGKYSDGSUKGQ-UHFFFAOYSA-N
XLogP0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 64813928) is 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(CN1CCCC1=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is YBUGKYSDGSUKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-11(8-15-7-3-6-12(15)17)14-10-5-2-1-4-9(10)13(18)19/h9-10H,1-8H2,(H,14,16)(H,18,19).
What are the key properties of 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64813928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).