(2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate

C9H13F3NO4- — CID 169430385

IUPAC(2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate
SMILESC[C@H]1CCN[C@@H](C(=O)O)C1.O=C([O-])C(F)(F)F
InChIInChI=1S/C7H13NO2.C2HF3O2/c1-5-2-3-8-6(4-5)7(9)10;3-2(4,5)1(6)7/h5-6,8H,2-4H2,1H3,(H,9,10);(H,6,7)/p-1/t5-,6+;/m0./s1
InChIKeyOHCJGSJWTLVPKM-RIHPBJNCSA-M
MW256.20 g/mol
LogP-0.24
Rot. Bonds1

About (2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate

(2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate (PubChem CID 169430385) has the molecular formula C9H13F3NO4- and a molecular weight of 256.20 g/mol. Its IUPAC name is (2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate
PubChem CID169430385
Molecular FormulaC9H13F3NO4-
Molecular Weight256.20 g/mol
Exact Mass256.08
IUPAC Name(2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate
SMILESC[C@H]1CCN[C@@H](C(=O)O)C1.O=C([O-])C(F)(F)F
InChIInChI=1S/C7H13NO2.C2HF3O2/c1-5-2-3-8-6(4-5)7(9)10;3-2(4,5)1(6)7/h5-6,8H,2-4H2,1H3,(H,9,10);(H,6,7)/p-1/t5-,6+;/m0./s1
InChIKeyOHCJGSJWTLVPKM-RIHPBJNCSA-M
XLogP-0.24
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
(2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid
CID 134586830
4-methylpiperidine-2-carbohydrazide
CID 114424068
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985
(2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 103869598
3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 113342121
2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 114424387
N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide
CID 103461667
N-(1-cyclopropylethyl)-4-methylpiperidine-2-carboxamide
CID 114422825
(2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid
CID 178194781
4-(2-cyclopropylethyl)piperidine-2-carboxylic acid
CID 18446255

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate?
The IUPAC name of (2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate (CID 169430385) is (2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate.
What is the SMILES notation for (2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate?
The canonical SMILES for (2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate is C[C@H]1CCN[C@@H](C(=O)O)C1.O=C([O-])C(F)(F)F.
What is the InChIKey of (2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate?
The InChIKey is OHCJGSJWTLVPKM-RIHPBJNCSA-M. The full InChI is InChI=1S/C7H13NO2.C2HF3O2/c1-5-2-3-8-6(4-5)7(9)10;3-2(4,5)1(6)7/h5-6,8H,2-4H2,1H3,(H,9,10);(H,6,7)/p-1/t5-,6+;/m0./s1.
What are the key properties of (2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate?
(2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate has a molecular weight of 256.20 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetate is sourced from PubChem (CID 169430385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).