4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid

C15H26N2O4 — CID 115293206

IUPAC4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid
SMILESCC1CCC(NC(=O)NC2(C(=O)O)CCOCC2)C(C)C1
InChIInChI=1S/C15H26N2O4/c1-10-3-4-12(11(2)9-10)16-14(20)17-15(13(18)19)5-7-21-8-6-15/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyWAUMDYMZTBRKDG-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.74
Rot. Bonds3

About 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid

4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid (PubChem CID 115293206) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid
PubChem CID115293206
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid
SMILESCC1CCC(NC(=O)NC2(C(=O)O)CCOCC2)C(C)C1
InChIInChI=1S/C15H26N2O4/c1-10-3-4-12(11(2)9-10)16-14(20)17-15(13(18)19)5-7-21-8-6-15/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyWAUMDYMZTBRKDG-UHFFFAOYSA-N
XLogP1.74
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-hydroxycyclohexyl)carbamoylamino]oxane-4-carboxylic acid
CID 115293125
4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide
CID 63995716
1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114548885
1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82728325
3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 62410921
1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 80720753
3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63279636
1-(2,4-dimethylcyclohexyl)-3-ethylurea
CID 115626414
4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63997378
3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79350166
methyl 2-[(2,4-dimethylcyclohexyl)amino]-2-oxoacetate
CID 112617292
1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 16791650

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid (CID 115293206) is 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid is CC1CCC(NC(=O)NC2(C(=O)O)CCOCC2)C(C)C1.
What is the InChIKey of 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid?
The InChIKey is WAUMDYMZTBRKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-3-4-12(11(2)9-10)16-14(20)17-15(13(18)19)5-7-21-8-6-15/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid?
4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 115293206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).