1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

C13H24N2O3 — CID 115151399

IUPAC1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(C(=O)N(C)C(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)15(4)11(16)10-5-7-13(14-3,8-6-10)12(17)18/h9-10,14H,5-8H2,1-4H3,(H,17,18)
InChIKeyXQXHJYYKJMDNDI-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds4

About 1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 115151399) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID115151399
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(C(=O)N(C)C(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)15(4)11(16)10-5-7-13(14-3,8-6-10)12(17)18/h9-10,14H,5-8H2,1-4H3,(H,17,18)
InChIKeyXQXHJYYKJMDNDI-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 115151399) is 1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is CNC1(C(=O)O)CCC(C(=O)N(C)C(C)C)CC1.
What is the InChIKey of 1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is XQXHJYYKJMDNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)15(4)11(16)10-5-7-13(14-3,8-6-10)12(17)18/h9-10,14H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-4-[methyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115151399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).