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

C10H18F2N2O2 — CID 129219829

IUPAC3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid
SMILESNC(CCN1CCCC(F)(F)C1)CC(=O)O
InChIInChI=1S/C10H18F2N2O2/c11-10(12)3-1-4-14(7-10)5-2-8(13)6-9(15)16/h8H,1-7,13H2,(H,15,16)
InChIKeyPAOWYEDTYGZXLH-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.91
Rot. Bonds5

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

3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid (PubChem CID 129219829) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid
PubChem CID129219829
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid
SMILESNC(CCN1CCCC(F)(F)C1)CC(=O)O
InChIInChI=1S/C10H18F2N2O2/c11-10(12)3-1-4-14(7-10)5-2-8(13)6-9(15)16/h8H,1-7,13H2,(H,15,16)
InChIKeyPAOWYEDTYGZXLH-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid?
The IUPAC name of 3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid (CID 129219829) is 3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid?
The canonical SMILES for 3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid is NC(CCN1CCCC(F)(F)C1)CC(=O)O.
What is the InChIKey of 3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid?
The InChIKey is PAOWYEDTYGZXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-10(12)3-1-4-14(7-10)5-2-8(13)6-9(15)16/h8H,1-7,13H2,(H,15,16).
What are the key properties of 3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid?
3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid has a molecular weight of 236.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 129219829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).