(3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid

C10H15F3N2O3 — CID 81120268

IUPAC(3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid
SMILESCC(N)(C(=O)N1CCC[C@@H](C(=O)O)C1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-9(14,10(11,12)13)8(18)15-4-2-3-6(5-15)7(16)17/h6H,2-5,14H2,1H3,(H,16,17)/t6-,9?/m1/s1
InChIKeyIOXNRNCEQIPHBP-VJSCVCEBSA-N
MW268.23 g/mol
LogP0.59
Rot. Bonds2

About (3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid

(3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid (PubChem CID 81120268) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is (3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid
PubChem CID81120268
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name(3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid
SMILESCC(N)(C(=O)N1CCC[C@@H](C(=O)O)C1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-9(14,10(11,12)13)8(18)15-4-2-3-6(5-15)7(16)17/h6H,2-5,14H2,1H3,(H,16,17)/t6-,9?/m1/s1
InChIKeyIOXNRNCEQIPHBP-VJSCVCEBSA-N
XLogP0.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-3-carboxylic acid
CID 65269823
2-amino-3,3,3-trifluoro-2-methyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 79810894
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid
CID 61157543
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
2-amino-1-(4,4-dimethylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 79812146
2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylazepan-1-yl)propan-1-one
CID 79811691
2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 79793264
1-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperidine-3-carboxylic acid
CID 154744873
2-amino-3,3,3-trifluoro-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103495390
tert-butyl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate
CID 102216136

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid (CID 81120268) is (3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid is CC(N)(C(=O)N1CCC[C@@H](C(=O)O)C1)C(F)(F)F.
What is the InChIKey of (3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid?
The InChIKey is IOXNRNCEQIPHBP-VJSCVCEBSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-9(14,10(11,12)13)8(18)15-4-2-3-6(5-15)7(16)17/h6H,2-5,14H2,1H3,(H,16,17)/t6-,9?/m1/s1.
What are the key properties of (3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid?
(3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).