1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C12H22N2O4 — CID 11651797

IUPAC1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCCN(C)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H22N2O4/c1-14(8-9-18-2)11(17)13-12(10(15)16)6-4-3-5-7-12/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyYOTNHKWRUVYHTR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds5

About 1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 11651797) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID11651797
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCCN(C)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H22N2O4/c1-14(8-9-18-2)11(17)13-12(10(15)16)6-4-3-5-7-12/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyYOTNHKWRUVYHTR-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 11651797) is 1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is COCCN(C)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is YOTNHKWRUVYHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-14(8-9-18-2)11(17)13-12(10(15)16)6-4-3-5-7-12/h3-9H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 11651797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).