2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid

C9H14F2N2O3 — CID 142592619

IUPAC2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid
SMILESNC(CCN1CC(F)(F)CCC1=O)C(=O)O
InChIInChI=1S/C9H14F2N2O3/c10-9(11)3-1-7(14)13(5-9)4-2-6(12)8(15)16/h6H,1-5,12H2,(H,15,16)
InChIKeySEOUZZVFLVZKQU-UHFFFAOYSA-N
MW236.22 g/mol
LogP0.05
Rot. Bonds4

About 2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid

2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid (PubChem CID 142592619) has the molecular formula C9H14F2N2O3 and a molecular weight of 236.22 g/mol. Its IUPAC name is 2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid
PubChem CID142592619
Molecular FormulaC9H14F2N2O3
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid
SMILESNC(CCN1CC(F)(F)CCC1=O)C(=O)O
InChIInChI=1S/C9H14F2N2O3/c10-9(11)3-1-7(14)13(5-9)4-2-6(12)8(15)16/h6H,1-5,12H2,(H,15,16)
InChIKeySEOUZZVFLVZKQU-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 87289671
2-Amino-4-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 87289673
2-Amino-4-(4,4-difluoropiperidin-1-yl)butanoic acid
CID 116991252
(2S)-2-amino-4-(4,4-difluoropiperidin-1-yl)butanoic acid
CID 142490903
(2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid
CID 146563110
(2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid;dihydrochloride
CID 170607213
1-(3-Aminopropyl)piperidin-2-one;2,2,2-trifluoroacetic acid
CID 174189393
4-(3,3-Difluoropiperidin-1-yl)-2-formamidobutanoic acid
CID 175824318
4-Amino-5-oxo-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid
CID 64890114
2-Amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid
CID 116991151
3-Amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid
CID 116991152
2-Amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid
CID 116991371

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid?
The IUPAC name of 2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid (CID 142592619) is 2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid is NC(CCN1CC(F)(F)CCC1=O)C(=O)O.
What is the InChIKey of 2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid?
The InChIKey is SEOUZZVFLVZKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3/c10-9(11)3-1-7(14)13(5-9)4-2-6(12)8(15)16/h6H,1-5,12H2,(H,15,16).
What are the key properties of 2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid?
2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid has a molecular weight of 236.22 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid is sourced from PubChem (CID 142592619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).