2-(1-methylcyclohexyl)propanedioic acid

C10H16O4 — CID 12673903

IUPAC2-(1-methylcyclohexyl)propanedioic acid
SMILESCC1(C(C(=O)O)C(=O)O)CCCCC1
InChIInChI=1S/C10H16O4/c1-10(5-3-2-4-6-10)7(8(11)12)9(13)14/h7H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyOUFWHZKRUVNNKQ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.74
Rot. Bonds3

About 2-(1-methylcyclohexyl)propanedioic acid

2-(1-methylcyclohexyl)propanedioic acid (PubChem CID 12673903) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)propanedioic acid.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)propanedioic acid
PubChem CID12673903
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(1-methylcyclohexyl)propanedioic acid
SMILESCC1(C(C(=O)O)C(=O)O)CCCCC1
InChIInChI=1S/C10H16O4/c1-10(5-3-2-4-6-10)7(8(11)12)9(13)14/h7H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyOUFWHZKRUVNNKQ-UHFFFAOYSA-N
XLogP1.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(1-methylcyclohexyl)pentane-2,4-dione
CID 21339007
(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride
CID 69433180
2-cyano-2-(1-methylcyclohexyl)acetic acid
CID 12673904
2-(methylamino)-2-(1-methylcyclopentyl)acetic acid
CID 130965432
2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid
CID 21133604
2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid
CID 164530907
ethyl 3-amino-2-(1-methylcyclohexyl)-3-oxopropanoate
CID 18694888
(2R)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 67052824
methyl 2-amino-2-(1-methylcycloheptyl)acetate
CID 130949608
1-(1-methylcyclohexyl)ethyl acetate
CID 140967924
1-methyl-3-[1-(1-methylcycloheptyl)-2-oxoethyl]urea
CID 143354245
2-(1-methylcyclopentyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 167737694

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)propanedioic acid?
The IUPAC name of 2-(1-methylcyclohexyl)propanedioic acid (CID 12673903) is 2-(1-methylcyclohexyl)propanedioic acid.
What is the SMILES notation for 2-(1-methylcyclohexyl)propanedioic acid?
The canonical SMILES for 2-(1-methylcyclohexyl)propanedioic acid is CC1(C(C(=O)O)C(=O)O)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)propanedioic acid?
The InChIKey is OUFWHZKRUVNNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-10(5-3-2-4-6-10)7(8(11)12)9(13)14/h7H,2-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(1-methylcyclohexyl)propanedioic acid?
2-(1-methylcyclohexyl)propanedioic acid has a molecular weight of 200.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)propanedioic acid is sourced from PubChem (CID 12673903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).