(2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid

C10H15F3N2O3 — CID 150217634

IUPAC(2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCN(C[C@H]1CCCCN1C(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-14(8(16)10(11,12)13)6-7-4-2-3-5-15(7)9(17)18/h7H,2-6H2,1H3,(H,17,18)/t7-/m1/s1
InChIKeyFSUSLVWTWMQUHC-SSDOTTSWSA-N
MW268.23 g/mol
LogP1.54
Rot. Bonds2

About (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid

(2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 150217634) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID150217634
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name(2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCN(C[C@H]1CCCCN1C(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-14(8(16)10(11,12)13)6-7-4-2-3-5-15(7)9(17)18/h7H,2-6H2,1H3,(H,17,18)/t7-/m1/s1
InChIKeyFSUSLVWTWMQUHC-SSDOTTSWSA-N
XLogP1.54
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid (CID 150217634) is (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid is CN(C[C@H]1CCCCN1C(=O)O)C(=O)C(F)(F)F.
What is the InChIKey of (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is FSUSLVWTWMQUHC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-14(8(16)10(11,12)13)6-7-4-2-3-5-15(7)9(17)18/h7H,2-6H2,1H3,(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
(2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 150217634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).