(2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid

C11H17F3N2O4 — CID 107828179

IUPAC(2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESO=C(O)[C@@H](CCO)NC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)7-2-1-4-16(6-7)10(20)15-8(3-5-17)9(18)19/h7-8,17H,1-6H2,(H,15,20)(H,18,19)/t7?,8-/m1/s1
InChIKeyXRTAUYSNAWGMJG-BRFYHDHCSA-N
MW298.26 g/mol
LogP0.81
Rot. Bonds4

About (2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid

(2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 107828179) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID107828179
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name(2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESO=C(O)[C@@H](CCO)NC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)7-2-1-4-16(6-7)10(20)15-8(3-5-17)9(18)19/h7-8,17H,1-6H2,(H,15,20)(H,18,19)/t7?,8-/m1/s1
InChIKeyXRTAUYSNAWGMJG-BRFYHDHCSA-N
XLogP0.81
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

4-Hydroxy-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009663
4-Hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55010002
4-Hydroxy-2-[[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]amino]butanoic acid
CID 62969692
(2S)-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 65530010
3-Hydroxy-2-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 65530214
4-Methyl-2-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 65530215
(2S)-3-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 65530394
3-Methyl-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 65530398
3-Hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 65530399
(2R)-4-methyl-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 65530588
(2S)-3-methyl-2-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 65530982
4-Methoxy-2-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 65530985

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid (CID 107828179) is (2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid is O=C(O)[C@@H](CCO)NC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is XRTAUYSNAWGMJG-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c12-11(13,14)7-2-1-4-16(6-7)10(20)15-8(3-5-17)9(18)19/h7-8,17H,1-6H2,(H,15,20)(H,18,19)/t7?,8-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid?
(2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 298.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 107828179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).