3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid

C9H13F3N2O3 — CID 103248597

IUPAC3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid
SMILESO=C1NCCCC1NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5(8(16)17)4-14-6-2-1-3-13-7(6)15/h5-6,14H,1-4H2,(H,13,15)(H,16,17)
InChIKeyYVPHNLNXCHBPCF-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.12
Rot. Bonds4

About 3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid

3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid (PubChem CID 103248597) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid
PubChem CID103248597
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid
SMILESO=C1NCCCC1NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5(8(16)17)4-14-6-2-1-3-13-7(6)15/h5-6,14H,1-4H2,(H,13,15)(H,16,17)
InChIKeyYVPHNLNXCHBPCF-UHFFFAOYSA-N
XLogP0.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3,3-trifluoropropylamino)piperidin-2-one
CID 64554624
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
CID 114897426
ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
CID 103248566
3-(2-ethylbutylamino)azepan-2-one
CID 43688006
methyl 2-[(2-oxopiperidin-3-yl)amino]acetate
CID 22906858
3-[(3-methyl-2-propan-2-ylbutyl)amino]azepan-2-one
CID 102905290
N-cyclopropyl-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 62093607
N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide
CID 77030299
3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one
CID 114493018
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
CID 62093953
3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one
CID 62092120
3-(2-methylprop-2-enylamino)piperidin-2-one
CID 62331735

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid (CID 103248597) is 3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid is O=C1NCCCC1NCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid?
The InChIKey is YVPHNLNXCHBPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)5(8(16)17)4-14-6-2-1-3-13-7(6)15/h5-6,14H,1-4H2,(H,13,15)(H,16,17).
What are the key properties of 3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid has a molecular weight of 254.21 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid is sourced from PubChem (CID 103248597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).