1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid

C13H20N2O4 — CID 114155350

IUPAC1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid
SMILESO=C1CC(NC(=O)CC2(C(=O)O)CCCCC2)CN1
InChIInChI=1S/C13H20N2O4/c16-10-6-9(8-14-10)15-11(17)7-13(12(18)19)4-2-1-3-5-13/h9H,1-8H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyGQKCLQKWZOUIMW-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.42
Rot. Bonds4

About 1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid

1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid (PubChem CID 114155350) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid
PubChem CID114155350
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid
SMILESO=C1CC(NC(=O)CC2(C(=O)O)CCCCC2)CN1
InChIInChI=1S/C13H20N2O4/c16-10-6-9(8-14-10)15-11(17)7-13(12(18)19)4-2-1-3-5-13/h9H,1-8H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyGQKCLQKWZOUIMW-UHFFFAOYSA-N
XLogP0.42
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 63661531
1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114156297
1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434341
1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid
CID 62093083
1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 55062097
1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114543563
4-ethyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 106192114
1-[2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 79358096
4-hydroxy-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106197992
N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 106187640
1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63363742
N-(5-oxopyrrolidin-3-yl)-3-piperidin-1-ylpropanamide
CID 112534676

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid (CID 114155350) is 1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid is O=C1CC(NC(=O)CC2(C(=O)O)CCCCC2)CN1.
What is the InChIKey of 1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid?
The InChIKey is GQKCLQKWZOUIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-10-6-9(8-14-10)15-11(17)7-13(12(18)19)4-2-1-3-5-13/h9H,1-8H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid?
1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114155350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).