1-cyclopropyl-3-methylpiperidine-4-carboxylic acid

C10H17NO2 — CID 83846866

IUPAC1-cyclopropyl-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(C2CC2)CCC1C(=O)O
InChIInChI=1S/C10H17NO2/c1-7-6-11(8-2-3-8)5-4-9(7)10(12)13/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyQQLJFBPGDUDDGY-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.19
Rot. Bonds2

About 1-cyclopropyl-3-methylpiperidine-4-carboxylic acid

1-cyclopropyl-3-methylpiperidine-4-carboxylic acid (PubChem CID 83846866) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-3-methylpiperidine-4-carboxylic acid
PubChem CID83846866
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-cyclopropyl-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(C2CC2)CCC1C(=O)O
InChIInChI=1S/C10H17NO2/c1-7-6-11(8-2-3-8)5-4-9(7)10(12)13/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyQQLJFBPGDUDDGY-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(ethylamino)piperidine-4-carboxylic acid
CID 83848970
1-cyclopropyl-4-(ethylamino)piperidine-3-carboxylic acid
CID 83848972
1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65065747
4-methyl-1-(1-methylazepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65073020
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 82857025
1-cyclopropyl-3-methylpyrrolidine;ethane
CID 176992470
(3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid
CID 114086373
2-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclobutane-1-carboxylic acid
CID 103244988
3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid
CID 130516067
1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid
CID 65056040
1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid
CID 83816133
methyl 4-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 178148069

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-cyclopropyl-3-methylpiperidine-4-carboxylic acid (CID 83846866) is 1-cyclopropyl-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-3-methylpiperidine-4-carboxylic acid is CC1CN(C2CC2)CCC1C(=O)O.
What is the InChIKey of 1-cyclopropyl-3-methylpiperidine-4-carboxylic acid?
The InChIKey is QQLJFBPGDUDDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-6-11(8-2-3-8)5-4-9(7)10(12)13/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-cyclopropyl-3-methylpiperidine-4-carboxylic acid?
1-cyclopropyl-3-methylpiperidine-4-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 83846866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).