2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid

C13H22N2O5 — CID 61468508

IUPAC2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCCC1CCC(NC(=O)NC(=O)COCC(=O)O)CC1
InChIInChI=1S/C13H22N2O5/c1-2-9-3-5-10(6-4-9)14-13(19)15-11(16)7-20-8-12(17)18/h9-10H,2-8H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyOCDKREJJTZRXNU-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.88
Rot. Bonds6

About 2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 61468508) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID61468508
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCCC1CCC(NC(=O)NC(=O)COCC(=O)O)CC1
InChIInChI=1S/C13H22N2O5/c1-2-9-3-5-10(6-4-9)14-13(19)15-11(16)7-20-8-12(17)18/h9-10H,2-8H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyOCDKREJJTZRXNU-UHFFFAOYSA-N
XLogP0.88
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 60706988
2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid
CID 61329467
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
1-amino-3-(4-ethylcyclohexyl)urea
CID 61468290
2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328684
3-[(4-ethylcyclohexyl)carbamoylamino]butanoic acid
CID 54955248
2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
CID 61328994
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
2-(cyclopropylmethylamino)-N-(4-ethylcyclohexyl)acetamide;hydrochloride
CID 119716167
2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 65041410
2-[(4-ethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 61468155
4-[(4-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 81069634

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 61468508) is 2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid is CCC1CCC(NC(=O)NC(=O)COCC(=O)O)CC1.
What is the InChIKey of 2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is OCDKREJJTZRXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-2-9-3-5-10(6-4-9)14-13(19)15-11(16)7-20-8-12(17)18/h9-10H,2-8H2,1H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61468508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).