1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

C11H20N2O3 — CID 16789773

IUPAC1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)NC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H20N2O3/c1-8(2)12-10(16)13-11(9(14)15)6-4-3-5-7-11/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyZJOPUBAGSPCYMR-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.48
Rot. Bonds3

About 1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 16789773) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID16789773
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)NC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H20N2O3/c1-8(2)12-10(16)13-11(9(14)15)6-4-3-5-7-11/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyZJOPUBAGSPCYMR-UHFFFAOYSA-N
XLogP1.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 16789773) is 1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is CC(C)NC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is ZJOPUBAGSPCYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)12-10(16)13-11(9(14)15)6-4-3-5-7-11/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 16789773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).