(2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid

C14H23NO5 — CID 102945281

IUPAC(2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NCCOC1CCCCC1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C14H23NO5/c16-13(11-6-7-12(20-11)14(17)18)15-8-9-19-10-4-2-1-3-5-10/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKeyMROOIJNQTXZMQW-NWDGAFQWSA-N
MW285.34 g/mol
LogP1.08
Rot. Bonds6

About (2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102945281) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102945281
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NCCOC1CCCCC1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C14H23NO5/c16-13(11-6-7-12(20-11)14(17)18)15-8-9-19-10-4-2-1-3-5-10/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKeyMROOIJNQTXZMQW-NWDGAFQWSA-N
XLogP1.08
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
N-(2-cycloheptyloxyethyl)morpholine-2-carboxamide;hydrochloride
CID 119786670
trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 98583524
cis-(1R,2S)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 98583525
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 106234765
(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 106003701
5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 103090704
(2R,5S)-5-(6-hydroxyhexylcarbamoyl)oxolane-2-carboxylic acid
CID 107846499
5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid
CID 102687639
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875
N-(2-cyclopentyloxyethyl)piperidine-4-carboxamide
CID 63828643
(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944290

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid (CID 102945281) is (2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid is O=C(NCCOC1CCCCC1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is MROOIJNQTXZMQW-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23NO5/c16-13(11-6-7-12(20-11)14(17)18)15-8-9-19-10-4-2-1-3-5-10/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102945281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).