3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid

C9H16O3 — CID 154872999

IUPAC3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid
SMILESO=C(O)CC[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C9H16O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h7-8,10H,1-6H2,(H,11,12)/t7-,8-/m1/s1
InChIKeyXTYKCEQADKYNFK-HTQZYQBOSA-N
MW172.22 g/mol
LogP1.40
Rot. Bonds3

About 3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid

3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid (PubChem CID 154872999) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid.

Molecular Properties

Compound Name3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid
PubChem CID154872999
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid
SMILESO=C(O)CC[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C9H16O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h7-8,10H,1-6H2,(H,11,12)/t7-,8-/m1/s1
InChIKeyXTYKCEQADKYNFK-HTQZYQBOSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
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3-cyclohexylpropanoic acid;ethane;propane
CID 169257090
2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
CID 171776027
3-(3-aminocyclobutyl)propanoic acid
CID 136574712
8-cyclobutyloctanoic acid
CID 72551210
3-heptylcyclohexan-1-ol
CID 64515801
3-(3-phenylmethoxycyclohexyl)propanoic acid
CID 115049002
3-[3-[3-[3-(3-hydroxycyclohexyl)propyl]-2,5-dioxoimidazolidin-4-yl]propylsulfanyl]propanoic acid
CID 70611816
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
3-(thian-4-yl)propanoic acid
CID 82411342
2-ethyl-4-[(1R,3R)-3-hydroxycyclohexyl]but-2-enoic acid
CID 69494108

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid?
The IUPAC name of 3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid (CID 154872999) is 3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid.
What is the SMILES notation for 3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid?
The canonical SMILES for 3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid is O=C(O)CC[C@H]1CCC[C@@H](O)C1.
What is the InChIKey of 3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid?
The InChIKey is XTYKCEQADKYNFK-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h7-8,10H,1-6H2,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of 3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid?
3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid is sourced from PubChem (CID 154872999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).