1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid

C11H17NO4 — CID 116858030

IUPAC1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid
SMILESCN1CCC(C2(C(=O)O)CC2C(=O)O)CC1
InChIInChI=1S/C11H17NO4/c1-12-4-2-7(3-5-12)11(10(15)16)6-8(11)9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyWGOVZBLFVDPBGS-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.50
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid

1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid (PubChem CID 116858030) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid
PubChem CID116858030
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid
SMILESCN1CCC(C2(C(=O)O)CC2C(=O)O)CC1
InChIInChI=1S/C11H17NO4/c1-12-4-2-7(3-5-12)11(10(15)16)6-8(11)9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyWGOVZBLFVDPBGS-UHFFFAOYSA-N
XLogP0.50
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bicyclo[3.1.0]hexane-1,2-dicarboxylic acid
CID 123996002
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116874997
cis-(1R,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915450
trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915452
3-(1-methylpiperidin-4-yl)oxetane-3-thiol
CID 116872942
[1-(1-methylpiperidin-4-yl)cyclopropyl]methanol
CID 116963507
1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116928821
1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;dihydrochloride
CID 159086943
ethane;1-methylpiperidine-4-carbothioic S-acid
CID 142071667
4-(1-tert-butylcyclopropyl)-1-methylpiperidine
CID 118329233

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of 1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid (CID 116858030) is 1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid is CN1CCC(C2(C(=O)O)CC2C(=O)O)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid?
The InChIKey is WGOVZBLFVDPBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-12-4-2-7(3-5-12)11(10(15)16)6-8(11)9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid?
1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 116858030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).