2-(2-hydroxycycloheptyl)propanoic acid

C10H18O3 — CID 79418512

IUPAC2-(2-hydroxycycloheptyl)propanoic acid
SMILESCC(C(=O)O)C1CCCCCC1O
InChIInChI=1S/C10H18O3/c1-7(10(12)13)8-5-3-2-4-6-9(8)11/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyQLSXYJXUSGDAKO-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds2

About 2-(2-hydroxycycloheptyl)propanoic acid

2-(2-hydroxycycloheptyl)propanoic acid (PubChem CID 79418512) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-hydroxycycloheptyl)propanoic acid.

Molecular Properties

Compound Name2-(2-hydroxycycloheptyl)propanoic acid
PubChem CID79418512
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(2-hydroxycycloheptyl)propanoic acid
SMILESCC(C(=O)O)C1CCCCCC1O
InChIInChI=1S/C10H18O3/c1-7(10(12)13)8-5-3-2-4-6-9(8)11/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyQLSXYJXUSGDAKO-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.65
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-hydroxycyclohexyl)propanehydrazide
CID 130151990
2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one
CID 101241233
2-(1-hydroxyethyl)cyclodecan-1-ol
CID 23443021
2-[2-(hydroxymethyl)cyclohexyl]propanoic acid
CID 19848344
2-butan-2-ylcycloheptan-1-ol
CID 23148884
4-amino-2-(2-hydroxycyclohexyl)butanoic acid
CID 104680966
2-cycloheptylsulfonylpropanoic acid
CID 82925993
2-(4-hydroxy-1,1-dioxothiolan-3-yl)propanoic acid
CID 79419231
2-(1-hydroxypropan-2-yl)cyclohexan-1-ol
CID 130503401
ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate
CID 91367950
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycycloheptyl)propanoic acid?
The IUPAC name of 2-(2-hydroxycycloheptyl)propanoic acid (CID 79418512) is 2-(2-hydroxycycloheptyl)propanoic acid.
What is the SMILES notation for 2-(2-hydroxycycloheptyl)propanoic acid?
The canonical SMILES for 2-(2-hydroxycycloheptyl)propanoic acid is CC(C(=O)O)C1CCCCCC1O.
What is the InChIKey of 2-(2-hydroxycycloheptyl)propanoic acid?
The InChIKey is QLSXYJXUSGDAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(10(12)13)8-5-3-2-4-6-9(8)11/h7-9,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(2-hydroxycycloheptyl)propanoic acid?
2-(2-hydroxycycloheptyl)propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycycloheptyl)propanoic acid is sourced from PubChem (CID 79418512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).