(2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid

C16H19F3N2O3 — CID 119367956

IUPAC(2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)10-21-8-4-7-12(9-21)14(22)20-13(15(23)24)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,20,22)(H,23,24)/t12?,13-/m1/s1
InChIKeyRIBNVNORWAMUIV-ZGTCLIOFSA-N
MW344.33 g/mol
LogP2.20
Rot. Bonds5

About (2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid

(2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid (PubChem CID 119367956) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid
PubChem CID119367956
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name(2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)10-21-8-4-7-12(9-21)14(22)20-13(15(23)24)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,20,22)(H,23,24)/t12?,13-/m1/s1
InChIKeyRIBNVNORWAMUIV-ZGTCLIOFSA-N
XLogP2.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367932
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(2S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119028557
(2S)-2-phenyl-2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetic acid
CID 119372712
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111120168
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43925897
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
(2R)-2-phenyl-2-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide
CID 94770337
(2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide
CID 94770331

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid?
The IUPAC name of (2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid (CID 119367956) is (2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of (2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid?
The InChIKey is RIBNVNORWAMUIV-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-16(18,19)10-21-8-4-7-12(9-21)14(22)20-13(15(23)24)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,20,22)(H,23,24)/t12?,13-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid?
(2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid has a molecular weight of 344.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119367956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).