(2R)-2-chloro-3-cyclohexylpropanoic acid

C9H15ClO2 — CID 86657609

IUPAC(2R)-2-chloro-3-cyclohexylpropanoic acid
SMILESO=C(O)[C@H](Cl)CC1CCCCC1
InChIInChI=1S/C9H15ClO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)/t8-/m1/s1
InChIKeyOTBYSBBNSRSIGB-MRVPVSSYSA-N
MW190.67 g/mol
LogP2.65
Rot. Bonds3

About (2R)-2-chloro-3-cyclohexylpropanoic acid

(2R)-2-chloro-3-cyclohexylpropanoic acid (PubChem CID 86657609) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is (2R)-2-chloro-3-cyclohexylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-chloro-3-cyclohexylpropanoic acid
PubChem CID86657609
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Name(2R)-2-chloro-3-cyclohexylpropanoic acid
SMILESO=C(O)[C@H](Cl)CC1CCCCC1
InChIInChI=1S/C9H15ClO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)/t8-/m1/s1
InChIKeyOTBYSBBNSRSIGB-MRVPVSSYSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-2-iodopropanoic acid
CID 150221699
(2S)-2-bromo-3-cyclohexylpropanoic acid
CID 58736783
2-chloro-14-cyclohexyltetradecanoic acid
CID 174341935
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid
CID 142921806
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
copper bis(3-cyclohexyl-2-hydroxypropanoate)
CID 129047910
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
(2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid
CID 57007791
3-cyclobutyl-2-cyclopropylpropanoic acid
CID 115013430
1,5-dichloro-1,5-dicyclohexylpentan-3-one
CID 57145786
4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid
CID 70425259

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-3-cyclohexylpropanoic acid?
The IUPAC name of (2R)-2-chloro-3-cyclohexylpropanoic acid (CID 86657609) is (2R)-2-chloro-3-cyclohexylpropanoic acid.
What is the SMILES notation for (2R)-2-chloro-3-cyclohexylpropanoic acid?
The canonical SMILES for (2R)-2-chloro-3-cyclohexylpropanoic acid is O=C(O)[C@H](Cl)CC1CCCCC1.
What is the InChIKey of (2R)-2-chloro-3-cyclohexylpropanoic acid?
The InChIKey is OTBYSBBNSRSIGB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15ClO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-chloro-3-cyclohexylpropanoic acid?
(2R)-2-chloro-3-cyclohexylpropanoic acid has a molecular weight of 190.67 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-3-cyclohexylpropanoic acid is sourced from PubChem (CID 86657609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).