2-[2-(hydroxymethyl)cyclohexyl]propanoic acid

C10H18O3 — CID 19848344

IUPAC2-[2-(hydroxymethyl)cyclohexyl]propanoic acid
SMILESCC(C(=O)O)C1CCCCC1CO
InChIInChI=1S/C10H18O3/c1-7(10(12)13)9-5-3-2-4-8(9)6-11/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyJPWOQPIOMSQSRS-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.51
Rot. Bonds3

About 2-[2-(hydroxymethyl)cyclohexyl]propanoic acid

2-[2-(hydroxymethyl)cyclohexyl]propanoic acid (PubChem CID 19848344) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)cyclohexyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)cyclohexyl]propanoic acid
PubChem CID19848344
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[2-(hydroxymethyl)cyclohexyl]propanoic acid
SMILESCC(C(=O)O)C1CCCCC1CO
InChIInChI=1S/C10H18O3/c1-7(10(12)13)9-5-3-2-4-8(9)6-11/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyJPWOQPIOMSQSRS-UHFFFAOYSA-N
XLogP1.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2R)-2-aminocyclohexyl]propanoic acid
CID 130898751
2-(2-hydroxycycloheptyl)propanoic acid
CID 79418512
acetic acid;[(1R,2R)-2-(hydroxymethyl)cycloheptyl]methanol
CID 71398880
dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol
CID 163689095
3-(2-propan-2-ylcyclohexyl)propanoic acid
CID 84733624
2-[(3R,4R)-1-chloro-3-ethylpiperidin-4-yl]propanoic acid
CID 22803822
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid
CID 106360781
2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid
CID 114178847
[2-(hydroxymethyl)cyclohexyl]methanol;2-methylbut-2-enoic acid
CID 174557513
N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
CID 103798336
2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenyl]propanoic acid
CID 106362480
3-(2-fluorocyclohexyl)-2-methylpropanoic acid
CID 84732893

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)cyclohexyl]propanoic acid?
The IUPAC name of 2-[2-(hydroxymethyl)cyclohexyl]propanoic acid (CID 19848344) is 2-[2-(hydroxymethyl)cyclohexyl]propanoic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)cyclohexyl]propanoic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)cyclohexyl]propanoic acid is CC(C(=O)O)C1CCCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)cyclohexyl]propanoic acid?
The InChIKey is JPWOQPIOMSQSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(10(12)13)9-5-3-2-4-8(9)6-11/h7-9,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-[2-(hydroxymethyl)cyclohexyl]propanoic acid?
2-[2-(hydroxymethyl)cyclohexyl]propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)cyclohexyl]propanoic acid is sourced from PubChem (CID 19848344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).