2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid

C12H20N2O5 — CID 64701993

IUPAC2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
SMILESCOC(=O)CNC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H20N2O5/c1-19-10(17)8-13-11(18)14-12(7-9(15)16)5-3-2-4-6-12/h2-8H2,1H3,(H,15,16)(H2,13,14,18)
InChIKeyUMBVRXXBNXEFLO-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.64
Rot. Bonds5

About 2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid

2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid (PubChem CID 64701993) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
PubChem CID64701993
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
SMILESCOC(=O)CNC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H20N2O5/c1-19-10(17)8-13-11(18)14-12(7-9(15)16)5-3-2-4-6-12/h2-8H2,1H3,(H,15,16)(H2,13,14,18)
InChIKeyUMBVRXXBNXEFLO-UHFFFAOYSA-N
XLogP0.64
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid
CID 64699672
2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid
CID 114617990
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-(2-methylsulfanylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64701496
2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid
CID 114943589
2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid
CID 106191220
2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid
CID 64701906
2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
CID 64700433
2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64701811
2-[1-[2-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64700507
2-[1-(2-cyclopentylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700859

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid (CID 64701993) is 2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid is COC(=O)CNC(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid?
The InChIKey is UMBVRXXBNXEFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-19-10(17)8-13-11(18)14-12(7-9(15)16)5-3-2-4-6-12/h2-8H2,1H3,(H,15,16)(H2,13,14,18).
What are the key properties of 2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid?
2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 64701993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).