4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid

C10H18F2N2O2 — CID 146471630

IUPAC4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid
SMILESCNC(CCN1CCCC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H18F2N2O2/c1-13-8(9(15)16)3-6-14-5-2-4-10(11,12)7-14/h8,13H,2-7H2,1H3,(H,15,16)
InChIKeyZPOHXCPBNCLRLM-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.78
Rot. Bonds5

About 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid

4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid (PubChem CID 146471630) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid
PubChem CID146471630
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid
SMILESCNC(CCN1CCCC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H18F2N2O2/c1-13-8(9(15)16)3-6-14-5-2-4-10(11,12)7-14/h8,13H,2-7H2,1H3,(H,15,16)
InChIKeyZPOHXCPBNCLRLM-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid?
The IUPAC name of 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid (CID 146471630) is 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid?
The canonical SMILES for 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid is CNC(CCN1CCCC(F)(F)C1)C(=O)O.
What is the InChIKey of 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid?
The InChIKey is ZPOHXCPBNCLRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-13-8(9(15)16)3-6-14-5-2-4-10(11,12)7-14/h8,13H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid?
4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid has a molecular weight of 236.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid is sourced from PubChem (CID 146471630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).