2-[(1R,2S)-2-methylcyclohexyl]acetic acid

C9H16O2 — CID 41097348

IUPAC2-[(1R,2S)-2-methylcyclohexyl]acetic acid
SMILESC[C@H]1CCCC[C@@H]1CC(=O)O
InChIInChI=1S/C9H16O2/c1-7-4-2-3-5-8(7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyXZOWBIJUQVPEKP-JGVFFNPUSA-N
MW156.22 g/mol
LogP2.29
Rot. Bonds2

About 2-[(1R,2S)-2-methylcyclohexyl]acetic acid

2-[(1R,2S)-2-methylcyclohexyl]acetic acid (PubChem CID 41097348) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-[(1R,2S)-2-methylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S)-2-methylcyclohexyl]acetic acid
PubChem CID41097348
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-[(1R,2S)-2-methylcyclohexyl]acetic acid
SMILESC[C@H]1CCCC[C@@H]1CC(=O)O
InChIInChI=1S/C9H16O2/c1-7-4-2-3-5-8(7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyXZOWBIJUQVPEKP-JGVFFNPUSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethylcyclohexyl)acetic acid
CID 64774330
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
2-hydroxy-3-(2-methylcyclohexyl)propanoic acid
CID 69123864
2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79851384
2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
CID 22800145
1-[(2-methylcyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096800
2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid
CID 22103348
2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid
CID 96603790
2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid
CID 96621427
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
2-[2-[(2-methylcyclohexyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569777
2-(10-bicyclo[4.3.1]decanyl)acetic acid
CID 115020771

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-methylcyclohexyl]acetic acid?
The IUPAC name of 2-[(1R,2S)-2-methylcyclohexyl]acetic acid (CID 41097348) is 2-[(1R,2S)-2-methylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S)-2-methylcyclohexyl]acetic acid?
The canonical SMILES for 2-[(1R,2S)-2-methylcyclohexyl]acetic acid is C[C@H]1CCCC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(1R,2S)-2-methylcyclohexyl]acetic acid?
The InChIKey is XZOWBIJUQVPEKP-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-4-2-3-5-8(7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/t7-,8+/m0/s1.
What are the key properties of 2-[(1R,2S)-2-methylcyclohexyl]acetic acid?
2-[(1R,2S)-2-methylcyclohexyl]acetic acid has a molecular weight of 156.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-methylcyclohexyl]acetic acid is sourced from PubChem (CID 41097348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).