(2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid

C15H25NO4 — CID 102945305

IUPAC(2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESCC1CCCC(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)O2)C1
InChIInChI=1S/C15H25NO4/c1-10-3-2-4-11(9-10)7-8-16-14(17)12-5-6-13(20-12)15(18)19/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)/t10?,11?,12-,13+/m0/s1
InChIKeyHBWCWEDTWMLSMI-IFWUJCSASA-N
MW283.37 g/mol
LogP1.95
Rot. Bonds5

About (2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945305) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102945305
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESCC1CCCC(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)O2)C1
InChIInChI=1S/C15H25NO4/c1-10-3-2-4-11(9-10)7-8-16-14(17)12-5-6-13(20-12)15(18)19/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)/t10?,11?,12-,13+/m0/s1
InChIKeyHBWCWEDTWMLSMI-IFWUJCSASA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(3-methylcyclohexyl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103252796
(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 106003701
4-amino-N-[2-(3-methylcyclohexyl)ethyl]oxolane-3-carboxamide
CID 66237509
2-hydroxy-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 103430075
(2R)-2-amino-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 78966012
N-[2-(3-methylcyclohexyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119323298
5-methyl-N-(2-piperidin-3-ylethyl)oxolane-2-carboxamide
CID 81331259
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea
CID 95628739
2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]acetamide;hydrochloride
CID 119783122
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875
N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893149

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid (CID 102945305) is (2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid is CC1CCCC(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)O2)C1.
What is the InChIKey of (2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is HBWCWEDTWMLSMI-IFWUJCSASA-N. The full InChI is InChI=1S/C15H25NO4/c1-10-3-2-4-11(9-10)7-8-16-14(17)12-5-6-13(20-12)15(18)19/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)/t10?,11?,12-,13+/m0/s1.
What are the key properties of (2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).