2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid

C14H23NO5 — CID 106296956

IUPAC2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C14H23NO5/c16-9-14(5-7-20-8-6-14)15-12(17)10-3-1-2-4-11(10)13(18)19/h10-11,16H,1-9H2,(H,15,17)(H,18,19)
InChIKeyGYEIHDZVKRMCCX-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.54
Rot. Bonds4

About 2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 106296956) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID106296956
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C14H23NO5/c16-9-14(5-7-20-8-6-14)15-12(17)10-3-1-2-4-11(10)13(18)19/h10-11,16H,1-9H2,(H,15,17)(H,18,19)
InChIKeyGYEIHDZVKRMCCX-UHFFFAOYSA-N
XLogP0.54
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 106296979
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide
CID 106298994
(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
CID 104630614
N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpyrrolidine-3-carboxamide
CID 106298598
4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
CID 106298573
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
CID 106300635
N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
CID 106297417
N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide
CID 115764905
N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 136531054
N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide
CID 114170539
N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide
CID 115885935

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid (CID 106296956) is 2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NC1(CO)CCOCC1.
What is the InChIKey of 2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GYEIHDZVKRMCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c16-9-14(5-7-20-8-6-14)15-12(17)10-3-1-2-4-11(10)13(18)19/h10-11,16H,1-9H2,(H,15,17)(H,18,19).
What are the key properties of 2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106296956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).