5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid

C12H19NO5 — CID 102688444

IUPAC5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCCCC2O)O1
InChIInChI=1S/C12H19NO5/c14-8-4-2-1-3-7(8)13-11(15)9-5-6-10(18-9)12(16)17/h7-10,14H,1-6H2,(H,13,15)(H,16,17)
InChIKeyNMIDUSIMNSGIRM-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.04
Rot. Bonds3

About 5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid

5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688444) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688444
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCCCC2O)O1
InChIInChI=1S/C12H19NO5/c14-8-4-2-1-3-7(8)13-11(15)9-5-6-10(18-9)12(16)17/h7-10,14H,1-6H2,(H,13,15)(H,16,17)
InChIKeyNMIDUSIMNSGIRM-UHFFFAOYSA-N
XLogP0.04
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-2-carboxamide
CID 104927544
(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
CID 102944337
5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide
CID 107221914
(2R)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-2-carboxamide
CID 104956743
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688738
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688687
cis-(1R,3S)-3-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114093239
3-[(2-hydroxycyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834681
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide
CID 104927999

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid (CID 102688444) is 5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)NC2CCCCC2O)O1.
What is the InChIKey of 5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is NMIDUSIMNSGIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c14-8-4-2-1-3-7(8)13-11(15)9-5-6-10(18-9)12(16)17/h7-10,14H,1-6H2,(H,13,15)(H,16,17).
What are the key properties of 5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid?
5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).