3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid

C10H15F3N2O3 — CID 81133598

IUPAC3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)[C@@H]1CCCNC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-9(8(17)18,10(11,12)13)15-7(16)6-3-2-4-14-5-6/h6,14H,2-5H2,1H3,(H,15,16)(H,17,18)/t6-,9?/m1/s1
InChIKeyBPHROQSIZVMMNO-VJSCVCEBSA-N
MW268.23 g/mol
LogP0.51
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 81133598) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
PubChem CID81133598
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)[C@@H]1CCCNC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-9(8(17)18,10(11,12)13)15-7(16)6-3-2-4-14-5-6/h6,14H,2-5H2,1H3,(H,15,16)(H,17,18)/t6-,9?/m1/s1
InChIKeyBPHROQSIZVMMNO-VJSCVCEBSA-N
XLogP0.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133383
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79798226
2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79804533
(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid
CID 63005212
methyl piperidine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 174559778
N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide
CID 162568495
N-[2-(4-fluorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 110462380
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133727

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid (CID 81133598) is 3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid is CC(NC(=O)[C@@H]1CCCNC1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is BPHROQSIZVMMNO-VJSCVCEBSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-9(8(17)18,10(11,12)13)15-7(16)6-3-2-4-14-5-6/h6,14H,2-5H2,1H3,(H,15,16)(H,17,18)/t6-,9?/m1/s1.
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 268.23 g/mol, XLogP of 0.51, 3 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-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 81133598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).