(2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid

C7H10F3NO4 — CID 107822678

IUPAC(2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid
SMILESO=C(CC(F)(F)F)N[C@H](CCO)C(=O)O
InChIInChI=1S/C7H10F3NO4/c8-7(9,10)3-5(13)11-4(1-2-12)6(14)15/h4,12H,1-3H2,(H,11,13)(H,14,15)/t4-/m1/s1
InChIKeyIAWRZDIHOKXLFH-SCSAIBSYSA-N
MW229.15 g/mol
LogP-0.11
Rot. Bonds5

About (2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid

(2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid (PubChem CID 107822678) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid
PubChem CID107822678
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Name(2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid
SMILESO=C(CC(F)(F)F)N[C@H](CCO)C(=O)O
InChIInChI=1S/C7H10F3NO4/c8-7(9,10)3-5(13)11-4(1-2-12)6(14)15/h4,12H,1-3H2,(H,11,13)(H,14,15)/t4-/m1/s1
InChIKeyIAWRZDIHOKXLFH-SCSAIBSYSA-N
XLogP-0.11
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-hydroxy-2-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 107823042
(2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid
CID 107823761
2-[2-[(1-carboxy-3-hydroxypropyl)amino]-2-oxoethyl]-2-hydroxybutanedioic acid
CID 140946110
(2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
CID 107823851
2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid
CID 61244410
(2S)-4-hydroxy-2-[(2-sulfanylacetyl)amino]butanoic acid
CID 91260947
4-hydroxy-2-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid
CID 61243888
(2S)-4-hydroxy-2-(3-oxobutanoylamino)butanoic acid
CID 54118201
(2R)-4-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 107826407
(2R)-4-hydroxy-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107823395
(2S)-4-hydroxy-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107822300
(2S)-2-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]amino]-4-hydroxybutanoic acid
CID 118624501

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid (CID 107822678) is (2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid is O=C(CC(F)(F)F)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid?
The InChIKey is IAWRZDIHOKXLFH-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10F3NO4/c8-7(9,10)3-5(13)11-4(1-2-12)6(14)15/h4,12H,1-3H2,(H,11,13)(H,14,15)/t4-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid?
(2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid has a molecular weight of 229.15 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid is sourced from PubChem (CID 107822678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).