1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid

C13H22N2O3 — CID 110837419

IUPAC1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid
SMILESCN1CCC(CC(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C13H22N2O3/c1-14-6-4-10(8-14)7-12(16)15-5-2-3-11(9-15)13(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyAASNVOIDBGAMIP-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.65
Rot. Bonds3

About 1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid

1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 110837419) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID110837419
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid
SMILESCN1CCC(CC(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C13H22N2O3/c1-14-6-4-10(8-14)7-12(16)15-5-2-3-11(9-15)13(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyAASNVOIDBGAMIP-UHFFFAOYSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 119167914
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95969531
1-(2-cyclopropylacetyl)pyrrolidine-3-carboxylic acid
CID 63007289
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
(3S)-1-[2-(4-phenylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 119174116
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
1-[2-(4,4-dimethylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533851
1-acetylpiperidine-3-carboxylic acid
CID 14043896

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid (CID 110837419) is 1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid is CN1CCC(CC(=O)N2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is AASNVOIDBGAMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14-6-4-10(8-14)7-12(16)15-5-2-3-11(9-15)13(17)18/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid?
1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 110837419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).