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

C9H16F2N2O2 — CID 146563110

IUPAC(2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid
SMILESN[C@@H](CCN1CCCC(F)(F)C1)C(=O)O
InChIInChI=1S/C9H16F2N2O2/c10-9(11)3-1-4-13(6-9)5-2-7(12)8(14)15/h7H,1-6,12H2,(H,14,15)/t7-/m0/s1
InChIKeyDYWZMAKFOFRCRE-ZETCQYMHSA-N
MW222.23 g/mol
LogP0.52
Rot. Bonds4

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

(2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid (PubChem CID 146563110) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is (2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid
PubChem CID146563110
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name(2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid
SMILESN[C@@H](CCN1CCCC(F)(F)C1)C(=O)O
InChIInChI=1S/C9H16F2N2O2/c10-9(11)3-1-4-13(6-9)5-2-7(12)8(14)15/h7H,1-6,12H2,(H,14,15)/t7-/m0/s1
InChIKeyDYWZMAKFOFRCRE-ZETCQYMHSA-N
XLogP0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2,4-Diamino-4-piperidin-1-yl-butyric acid
CID 44403379
2-Amino-4-(4,4-difluoropiperidin-1-yl)butanoic acid
CID 116991252
(2S)-4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid
CID 142490828
(2S)-2-amino-4-(4,4-difluoropiperidin-1-yl)butanoic acid
CID 142490903
2-Amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid
CID 142592619
4-(3,3-Difluoropiperidin-1-yl)-2-(methylamino)butanoic acid
CID 146471630
(2S)-4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide
CID 146471848
(2S)-4-(3-fluoro-3-methylpiperidin-1-yl)-2-(methylamino)butanoic acid
CID 146517505
(2S)-4-(4,4-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid
CID 146563103
(2S)-2-amino-4-[(5S)-3-(difluoromethyl)-5-methylpiperazin-1-yl]-2-methylbutanoic acid
CID 153322732
[(1S)-1-carboxy-3-(3,3-difluoropiperidin-1-yl)propyl]-methylazanium
CID 153487000
(2S)-2-amino-4-[3,3-difluoropropyl(methyl)amino]butanoic acid
CID 155277757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid (CID 146563110) is (2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid is N[C@@H](CCN1CCCC(F)(F)C1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid?
The InChIKey is DYWZMAKFOFRCRE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-9(11)3-1-4-13(6-9)5-2-7(12)8(14)15/h7H,1-6,12H2,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid?
(2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid has a molecular weight of 222.23 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid is sourced from PubChem (CID 146563110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).