(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid

C10H15F3N2O3 — CID 81121210

IUPAC(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-4-8(16)15-3-1-2-7(5-15)9(17)18/h7,14H,1-6H2,(H,17,18)/t7-/m1/s1
InChIKeyPZJYMWXTBCMSKK-SSDOTTSWSA-N
MW268.23 g/mol
LogP0.46
Rot. Bonds4

About (3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid

(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid (PubChem CID 81121210) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is (3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid
PubChem CID81121210
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-4-8(16)15-3-1-2-7(5-15)9(17)18/h7,14H,1-6H2,(H,17,18)/t7-/m1/s1
InChIKeyPZJYMWXTBCMSKK-SSDOTTSWSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate
CID 78914745
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
CID 79257373
1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid
CID 61156810
4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid
CID 79261444
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103745543
1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 102553202
(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 99638975
(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid
CID 139554798

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid (CID 81121210) is (3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)CNCC(F)(F)F)C1.
What is the InChIKey of (3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid?
The InChIKey is PZJYMWXTBCMSKK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-4-8(16)15-3-1-2-7(5-15)9(17)18/h7,14H,1-6H2,(H,17,18)/t7-/m1/s1.
What are the key properties of (3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81121210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).