2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid

C14H26N2O2 — CID 83047700

IUPAC2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-2-4-13(14(17)18)16-8-3-5-11(10-16)9-15-12-6-7-12/h11-13,15H,2-10H2,1H3,(H,17,18)
InChIKeyFDPLWKGIYNQJFN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.70
Rot. Bonds7

About 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid

2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid (PubChem CID 83047700) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid
PubChem CID83047700
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-2-4-13(14(17)18)16-8-3-5-11(10-16)9-15-12-6-7-12/h11-13,15H,2-10H2,1H3,(H,17,18)
InChIKeyFDPLWKGIYNQJFN-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid?
The IUPAC name of 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid (CID 83047700) is 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid.
What is the SMILES notation for 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid?
The canonical SMILES for 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid is CCCC(C(=O)O)N1CCCC(CNC2CC2)C1.
What is the InChIKey of 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid?
The InChIKey is FDPLWKGIYNQJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-4-13(14(17)18)16-8-3-5-11(10-16)9-15-12-6-7-12/h11-13,15H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid?
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid is sourced from PubChem (CID 83047700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).