2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid

C11H18O4 — CID 3246014

IUPAC2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid
SMILESC[C@@H]1CCCC(CC(=O)O)(CC(=O)O)C1
InChIInChI=1S/C11H18O4/c1-8-3-2-4-11(5-8,6-9(12)13)7-10(14)15/h8H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeyHJPDHTDUPWGUHP-MRVPVSSYSA-N
MW214.26 g/mol
LogP2.13
Rot. Bonds4

About 2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid

2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid (PubChem CID 3246014) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid
PubChem CID3246014
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid
SMILESC[C@@H]1CCCC(CC(=O)O)(CC(=O)O)C1
InChIInChI=1S/C11H18O4/c1-8-3-2-4-11(5-8,6-9(12)13)7-10(14)15/h8H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeyHJPDHTDUPWGUHP-MRVPVSSYSA-N
XLogP2.13
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid?
The IUPAC name of 2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid (CID 3246014) is 2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid?
The canonical SMILES for 2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid is C[C@@H]1CCCC(CC(=O)O)(CC(=O)O)C1.
What is the InChIKey of 2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid?
The InChIKey is HJPDHTDUPWGUHP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18O4/c1-8-3-2-4-11(5-8,6-9(12)13)7-10(14)15/h8H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-/m1/s1.
What are the key properties of 2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid?
2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(carboxymethyl)-3-methylcyclohexyl]acetic acid is sourced from PubChem (CID 3246014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).