(2R)-2-(4-methylcyclohexyl)propanoic acid

C10H18O2 — CID 96631531

IUPAC(2R)-2-(4-methylcyclohexyl)propanoic acid
SMILESCC1CCC([C@@H](C)C(=O)O)CC1
InChIInChI=1S/C10H18O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t7?,8-,9?/m1/s1
InChIKeyYXJLMOWHMDYZRS-QJAFJHJLSA-N
MW170.25 g/mol
LogP2.53
Rot. Bonds2

About (2R)-2-(4-methylcyclohexyl)propanoic acid

(2R)-2-(4-methylcyclohexyl)propanoic acid (PubChem CID 96631531) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R)-2-(4-methylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-methylcyclohexyl)propanoic acid
PubChem CID96631531
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R)-2-(4-methylcyclohexyl)propanoic acid
SMILESCC1CCC([C@@H](C)C(=O)O)CC1
InChIInChI=1S/C10H18O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t7?,8-,9?/m1/s1
InChIKeyYXJLMOWHMDYZRS-QJAFJHJLSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylcyclohexyl)propanamide
CID 175989942
carbamic acid;1-methyl-4-propan-2-ylcyclohexane
CID 67059714
methyl 2-(4-methylcyclohexyl)propanoate
CID 22035514
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435
(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
2-hydroxy-2-(4-methylcycloheptyl)acetic acid
CID 66289030
2-fluoro-2-(4-methylcycloheptyl)acetic acid
CID 81358281
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
2-methyl-3-[methyl-(4-methylcyclohexyl)amino]butanoic acid
CID 79408133
2-amino-2-hydroxyacetic acid;methylcyclopropane
CID 67301072
2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylcyclohexyl)propanoic acid?
The IUPAC name of (2R)-2-(4-methylcyclohexyl)propanoic acid (CID 96631531) is (2R)-2-(4-methylcyclohexyl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-methylcyclohexyl)propanoic acid?
The canonical SMILES for (2R)-2-(4-methylcyclohexyl)propanoic acid is CC1CCC([C@@H](C)C(=O)O)CC1.
What is the InChIKey of (2R)-2-(4-methylcyclohexyl)propanoic acid?
The InChIKey is YXJLMOWHMDYZRS-QJAFJHJLSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t7?,8-,9?/m1/s1.
What are the key properties of (2R)-2-(4-methylcyclohexyl)propanoic acid?
(2R)-2-(4-methylcyclohexyl)propanoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylcyclohexyl)propanoic acid is sourced from PubChem (CID 96631531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).