(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid

C11H16F3NO4 — CID 124689519

IUPAC(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H](OCC(F)(F)F)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H16F3NO4/c1-7(19-6-11(12,13)14)9(16)15-4-2-3-8(5-15)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)/t7-,8+/m1/s1
InChIKeyKCAHASCCOCFLSV-SFYZADRCSA-N
MW283.25 g/mol
LogP1.28
Rot. Bonds4

About (3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid

(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid (PubChem CID 124689519) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is (3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid
PubChem CID124689519
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H](OCC(F)(F)F)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H16F3NO4/c1-7(19-6-11(12,13)14)9(16)15-4-2-3-8(5-15)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)/t7-,8+/m1/s1
InChIKeyKCAHASCCOCFLSV-SFYZADRCSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 124689535
(2R)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 51943619
1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167924
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
CID 120512637
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid
CID 126790398
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 51518733

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid (CID 124689519) is (3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid is C[C@@H](OCC(F)(F)F)C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is KCAHASCCOCFLSV-SFYZADRCSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-7(19-6-11(12,13)14)9(16)15-4-2-3-8(5-15)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)/t7-,8+/m1/s1.
What are the key properties of (3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid?
(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124689519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).