2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C10H15F3N2O3 — CID 81133973

IUPAC2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-15(5-8(16)17)9(18)7-2-1-3-14-4-7/h7,14H,1-6H2,(H,16,17)/t7-/m1/s1
InChIKeyPBZLKLXYWSCJPM-SSDOTTSWSA-N
MW268.23 g/mol
LogP0.46
Rot. Bonds4

About 2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 81133973) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID81133973
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-15(5-8(16)17)9(18)7-2-1-3-14-4-7/h7,14H,1-6H2,(H,16,17)/t7-/m1/s1
InChIKeyPBZLKLXYWSCJPM-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

(3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129896
2-[piperidine-3-carbonyl(prop-2-enyl)amino]acetic acid
CID 79265013
(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81124814
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55150427
2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid
CID 81141373
N,N-diethylpiperidine-3-carboxamide
CID 18793
(3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129178
2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265267
2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 102893318
N,N-bis(2-methylpropyl)piperidine-3-carboxamide
CID 43588735
N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide
CID 24696269
3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141369

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 81133973) is 2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)[C@@H]1CCCNC1.
What is the InChIKey of 2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is PBZLKLXYWSCJPM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)6-15(5-8(16)17)9(18)7-2-1-3-14-4-7/h7,14H,1-6H2,(H,16,17)/t7-/m1/s1.
What are the key properties of 2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic 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 2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 81133973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).