2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid

C13H22N2O3 — CID 18986131

IUPAC2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid
SMILESO=C(CCCC1CCNCC1)NC1CC1C(=O)O
InChIInChI=1S/C13H22N2O3/c16-12(15-11-8-10(11)13(17)18)3-1-2-9-4-6-14-7-5-9/h9-11,14H,1-8H2,(H,15,16)(H,17,18)
InChIKeyWSLMAZAIYDWSKJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.75
Rot. Bonds6

About 2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid

2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid (PubChem CID 18986131) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid
PubChem CID18986131
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid
SMILESO=C(CCCC1CCNCC1)NC1CC1C(=O)O
InChIInChI=1S/C13H22N2O3/c16-12(15-11-8-10(11)13(17)18)3-1-2-9-4-6-14-7-5-9/h9-11,14H,1-8H2,(H,15,16)(H,17,18)
InChIKeyWSLMAZAIYDWSKJ-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid (CID 18986131) is 2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid is O=C(CCCC1CCNCC1)NC1CC1C(=O)O.
What is the InChIKey of 2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid?
The InChIKey is WSLMAZAIYDWSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(15-11-8-10(11)13(17)18)3-1-2-9-4-6-14-7-5-9/h9-11,14H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid?
2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 18986131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).