2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid

C14H23NO4 — CID 55047892

IUPAC2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)C1CCCCO1)C(=O)O
InChIInChI=1S/C14H23NO4/c1-10-6-2-4-8-14(10,13(17)18)15-12(16)11-7-3-5-9-19-11/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyHGFPMXYXNDDZDC-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.71
Rot. Bonds3

About 2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid

2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 55047892) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID55047892
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)C1CCCCO1)C(=O)O
InChIInChI=1S/C14H23NO4/c1-10-6-2-4-8-14(10,13(17)18)15-12(16)11-7-3-5-9-19-11/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyHGFPMXYXNDDZDC-UHFFFAOYSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61293575
1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
3-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 62214759
1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292847
1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61293759
1-[(4-iodobenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294307
1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295410
N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888
N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide
CID 63767807
1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
CID 60997493
N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide
CID 62213540
1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 62590402

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid (CID 55047892) is 2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid is CC1CCCCC1(NC(=O)C1CCCCO1)C(=O)O.
What is the InChIKey of 2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is HGFPMXYXNDDZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10-6-2-4-8-14(10,13(17)18)15-12(16)11-7-3-5-9-19-11/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid?
2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55047892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).