4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid

C14H24N2O4 — CID 66239762

IUPAC4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCCC1CCCCC1NC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-2-9-5-3-4-6-11(9)15-14(19)16-12-8-20-7-10(12)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyYYYCJADTBBVJSS-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.35
Rot. Bonds4

About 4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid

4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66239762) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66239762
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCCC1CCCCC1NC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-2-9-5-3-4-6-11(9)15-14(19)16-12-8-20-7-10(12)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyYYYCJADTBBVJSS-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238773
4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79877784
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64915825
4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66241326
4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid
CID 66223983
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid
CID 54955651
2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 66257764
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241338
3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide
CID 54955402
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid (CID 66239762) is 4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid is CCC1CCCCC1NC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is YYYCJADTBBVJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-9-5-3-4-6-11(9)15-14(19)16-12-8-20-7-10(12)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).