3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid

C14H24N2O4 — CID 64892875

IUPAC3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCOC1)C1CCCCC1
InChIInChI=1S/C14H24N2O4/c1-10(11-5-3-2-4-6-11)15-13(19)16-14(12(17)18)7-8-20-9-14/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyKDKWZYSVJAUIIQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.50
Rot. Bonds4

About 3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid

3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 64892875) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID64892875
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCOC1)C1CCCCC1
InChIInChI=1S/C14H24N2O4/c1-10(11-5-3-2-4-6-11)15-13(19)16-14(12(17)18)7-8-20-9-14/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyKDKWZYSVJAUIIQ-UHFFFAOYSA-N
XLogP1.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115
1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 113364085
3-(cycloheptylamino)oxolane-3-carboxylic acid
CID 63333317
3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
CID 64889178
3-[2-(oxan-4-yl)propanoylamino]oxolane-3-carboxylic acid
CID 120688768
3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
CID 120532697
2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892861
3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64894101
3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79350166
3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64892260

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid (CID 64892875) is 3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid is CC(NC(=O)NC1(C(=O)O)CCOC1)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is KDKWZYSVJAUIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(11-5-3-2-4-6-11)15-13(19)16-14(12(17)18)7-8-20-9-14/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid?
3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64892875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).