(2R)-3-cyclohexyl-2-hydroxypropanoic acid

C9H16O3 — CID 54438349

IUPAC(2R)-3-cyclohexyl-2-hydroxypropanoic acid
SMILESO=C(O)[C@H](O)CC1CCCCC1
InChIInChI=1S/C9H16O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8,10H,1-6H2,(H,11,12)/t8-/m1/s1
InChIKeyWMHUKKRNWMPXKB-MRVPVSSYSA-N
MW172.22 g/mol
LogP1.40
Rot. Bonds3

About (2R)-3-cyclohexyl-2-hydroxypropanoic acid

(2R)-3-cyclohexyl-2-hydroxypropanoic acid (PubChem CID 54438349) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (2R)-3-cyclohexyl-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-cyclohexyl-2-hydroxypropanoic acid
PubChem CID54438349
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(2R)-3-cyclohexyl-2-hydroxypropanoic acid
SMILESO=C(O)[C@H](O)CC1CCCCC1
InChIInChI=1S/C9H16O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8,10H,1-6H2,(H,11,12)/t8-/m1/s1
InChIKeyWMHUKKRNWMPXKB-MRVPVSSYSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexyl-2-hydroxypropanoic acid?
The IUPAC name of (2R)-3-cyclohexyl-2-hydroxypropanoic acid (CID 54438349) is (2R)-3-cyclohexyl-2-hydroxypropanoic acid.
What is the SMILES notation for (2R)-3-cyclohexyl-2-hydroxypropanoic acid?
The canonical SMILES for (2R)-3-cyclohexyl-2-hydroxypropanoic acid is O=C(O)[C@H](O)CC1CCCCC1.
What is the InChIKey of (2R)-3-cyclohexyl-2-hydroxypropanoic acid?
The InChIKey is WMHUKKRNWMPXKB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8,10H,1-6H2,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-3-cyclohexyl-2-hydroxypropanoic acid?
(2R)-3-cyclohexyl-2-hydroxypropanoic 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 (2R)-3-cyclohexyl-2-hydroxypropanoic acid is sourced from PubChem (CID 54438349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).