3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid

C10H18F2N2O2 — CID 129219919

IUPAC3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid
SMILESNC(CCN1CCCCC1(F)F)CC(=O)O
InChIInChI=1S/C10H18F2N2O2/c11-10(12)4-1-2-5-14(10)6-3-8(13)7-9(15)16/h8H,1-7,13H2,(H,15,16)
InChIKeyWJSLYQJABLDOGE-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.26
Rot. Bonds5

About 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid

3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid (PubChem CID 129219919) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid
PubChem CID129219919
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid
SMILESNC(CCN1CCCCC1(F)F)CC(=O)O
InChIInChI=1S/C10H18F2N2O2/c11-10(12)4-1-2-5-14(10)6-3-8(13)7-9(15)16/h8H,1-7,13H2,(H,15,16)
InChIKeyWJSLYQJABLDOGE-UHFFFAOYSA-N
XLogP1.26
TPSA66.56 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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid?
The IUPAC name of 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid (CID 129219919) is 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid?
The canonical SMILES for 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid is NC(CCN1CCCCC1(F)F)CC(=O)O.
What is the InChIKey of 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid?
The InChIKey is WJSLYQJABLDOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-10(12)4-1-2-5-14(10)6-3-8(13)7-9(15)16/h8H,1-7,13H2,(H,15,16).
What are the key properties of 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid?
3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid has a molecular weight of 236.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 129219919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).