(2R)-2-cycloheptyl-2-hydroxyacetic acid

C18H32O6 — CID 158640375

IUPAC(2R)-2-cycloheptyl-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)C1CCCCCC1.O=C(O)[C@H](O)C1CCCCCC1
InChIInChI=1S/2C9H16O3/c2*10-8(9(11)12)7-5-3-1-2-4-6-7/h2*7-8,10H,1-6H2,(H,11,12)/t2*8-/m11/s1
InChIKeyIAHMVJQXUHWUKG-NWKMIUOTSA-N
MW344.45 g/mol
LogP2.80
Rot. Bonds4

About (2R)-2-cycloheptyl-2-hydroxyacetic acid

(2R)-2-cycloheptyl-2-hydroxyacetic acid (PubChem CID 158640375) has the molecular formula C18H32O6 and a molecular weight of 344.45 g/mol. Its IUPAC name is (2R)-2-cycloheptyl-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-cycloheptyl-2-hydroxyacetic acid
PubChem CID158640375
Molecular FormulaC18H32O6
Molecular Weight344.45 g/mol
Exact Mass344.22
IUPAC Name(2R)-2-cycloheptyl-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)C1CCCCCC1.O=C(O)[C@H](O)C1CCCCCC1
InChIInChI=1S/2C9H16O3/c2*10-8(9(11)12)7-5-3-1-2-4-6-7/h2*7-8,10H,1-6H2,(H,11,12)/t2*8-/m11/s1
InChIKeyIAHMVJQXUHWUKG-NWKMIUOTSA-N
XLogP2.80
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-cyclobutyl-2-hydroxyacetic acid
CID 118175739
2-hydroxy-2-(4-methylcycloheptyl)acetic acid
CID 66289030
2-cyclohexyl-2-hydroxyacetyl chloride
CID 87847920
2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582
2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 66287773
2,3-dicyclopentylbutanedioic acid
CID 141323160
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
(2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid
CID 14660744
1-cycloheptyl-1,4-dihydroxybutane-2,3-dione
CID 123320630
2-cyclopentyl-2-hydroxyethaneperoxoic acid
CID 90238839
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]butanoic acid
CID 94426880

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cycloheptyl-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-cycloheptyl-2-hydroxyacetic acid (CID 158640375) is (2R)-2-cycloheptyl-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-cycloheptyl-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-cycloheptyl-2-hydroxyacetic acid is O=C(O)[C@H](O)C1CCCCCC1.O=C(O)[C@H](O)C1CCCCCC1.
What is the InChIKey of (2R)-2-cycloheptyl-2-hydroxyacetic acid?
The InChIKey is IAHMVJQXUHWUKG-NWKMIUOTSA-N. The full InChI is InChI=1S/2C9H16O3/c2*10-8(9(11)12)7-5-3-1-2-4-6-7/h2*7-8,10H,1-6H2,(H,11,12)/t2*8-/m11/s1.
What are the key properties of (2R)-2-cycloheptyl-2-hydroxyacetic acid?
(2R)-2-cycloheptyl-2-hydroxyacetic acid has a molecular weight of 344.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cycloheptyl-2-hydroxyacetic acid is sourced from PubChem (CID 158640375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).