3-cyclohexyl-2-iodopropanoic acid

C9H15IO2 — CID 150221699

IUPAC3-cyclohexyl-2-iodopropanoic acid
SMILESO=C(O)C(I)CC1CCCCC1
InChIInChI=1S/C9H15IO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)
InChIKeyFTPWCHCGTMXBGO-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.85
Rot. Bonds3

About 3-cyclohexyl-2-iodopropanoic acid

3-cyclohexyl-2-iodopropanoic acid (PubChem CID 150221699) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is 3-cyclohexyl-2-iodopropanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-iodopropanoic acid
PubChem CID150221699
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name3-cyclohexyl-2-iodopropanoic acid
SMILESO=C(O)C(I)CC1CCCCC1
InChIInChI=1S/C9H15IO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)
InChIKeyFTPWCHCGTMXBGO-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-bromo-3-cyclohexylpropanoic acid
CID 58736783
(2R)-2-chloro-3-cyclohexylpropanoic acid
CID 86657609
(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid
CID 142921806
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
(2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid
CID 57007791
3-cyclobutyl-2-cyclopropylpropanoic acid
CID 115013430
4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid
CID 70425259
(2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid
CID 167015607
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
2-(cyclobutylmethyl)-3-hydroxypropanoic acid
CID 130150360
(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-iodopropanoic acid?
The IUPAC name of 3-cyclohexyl-2-iodopropanoic acid (CID 150221699) is 3-cyclohexyl-2-iodopropanoic acid.
What is the SMILES notation for 3-cyclohexyl-2-iodopropanoic acid?
The canonical SMILES for 3-cyclohexyl-2-iodopropanoic acid is O=C(O)C(I)CC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-iodopropanoic acid?
The InChIKey is FTPWCHCGTMXBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12).
What are the key properties of 3-cyclohexyl-2-iodopropanoic acid?
3-cyclohexyl-2-iodopropanoic acid has a molecular weight of 282.12 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-iodopropanoic acid is sourced from PubChem (CID 150221699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).