2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid

C8H14F2N2O2 — CID 105461470

IUPAC2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid
SMILESNC(C(=O)O)C(F)(F)C1CCNCC1
InChIInChI=1S/C8H14F2N2O2/c9-8(10,6(11)7(13)14)5-1-3-12-4-2-5/h5-6,12H,1-4,11H2,(H,13,14)
InChIKeyWOHSDPDZXVIJHJ-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.03
Rot. Bonds3

About 2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid

2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid (PubChem CID 105461470) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid
PubChem CID105461470
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid
SMILESNC(C(=O)O)C(F)(F)C1CCNCC1
InChIInChI=1S/C8H14F2N2O2/c9-8(10,6(11)7(13)14)5-1-3-12-4-2-5/h5-6,12H,1-4,11H2,(H,13,14)
InChIKeyWOHSDPDZXVIJHJ-UHFFFAOYSA-N
XLogP0.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate
CID 105496040
piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
(2S)-2-amino-6-piperidin-4-ylhexanoic acid
CID 54155905
2,2-difluoro-2-piperidin-4-ylethanol
CID 105432620
2,2-difluoro-2-piperidin-4-ylethanamine
CID 105432407
2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582
3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid
CID 68941962
3,3,3-trifluoro-2-[[methyl(piperidin-4-yl)amino]methyl]propanoic acid
CID 80996529
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354
4-(1,1-difluoroethyl)piperidine;hydrochloride
CID 84718975
4-[cyclobutyl(difluoro)methyl]piperidine
CID 105443676

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid?
The IUPAC name of 2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid (CID 105461470) is 2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid.
What is the SMILES notation for 2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid?
The canonical SMILES for 2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid is NC(C(=O)O)C(F)(F)C1CCNCC1.
What is the InChIKey of 2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid?
The InChIKey is WOHSDPDZXVIJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-8(10,6(11)7(13)14)5-1-3-12-4-2-5/h5-6,12H,1-4,11H2,(H,13,14).
What are the key properties of 2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid?
2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid has a molecular weight of 208.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid is sourced from PubChem (CID 105461470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).