4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid

C15H26N2O4 — CID 66245153

IUPAC4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NC1CCCC(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-17(13-9-21-8-12(13)14(18)19)15(20)16-11-6-4-5-10(2)7-11/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBLSITNHUAIUISH-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.70
Rot. Bonds4

About 4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66245153) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66245153
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NC1CCCC(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-17(13-9-21-8-12(13)14(18)19)15(20)16-11-6-4-5-10(2)7-11/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBLSITNHUAIUISH-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
CID 66246519
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[(3,5-dimethylcyclohexyl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265351
4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid
CID 66252918
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344
4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245936
4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246734
4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 102699849

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 66245153) is 4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid is CCN(C(=O)NC1CCCC(C)C1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is BLSITNHUAIUISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-17(13-9-21-8-12(13)14(18)19)15(20)16-11-6-4-5-10(2)7-11/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).