(2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid

C11H10F3NO4 — CID 11818231

IUPAC(2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid
SMILESO=C(N[C@H]([C@@H](O)C(=O)O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F3NO4/c12-11(13,14)8(7(16)10(18)19)15-9(17)6-4-2-1-3-5-6/h1-5,7-8,16H,(H,15,17)(H,18,19)/t7-,8-/m1/s1
InChIKeyYOCWJRLHSFDBRQ-HTQZYQBOSA-N
MW277.20 g/mol
LogP0.79
Rot. Bonds4

About (2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid

(2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid (PubChem CID 11818231) has the molecular formula C11H10F3NO4 and a molecular weight of 277.20 g/mol. Its IUPAC name is (2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid
PubChem CID11818231
Molecular FormulaC11H10F3NO4
Molecular Weight277.20 g/mol
Exact Mass277.06
IUPAC Name(2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid
SMILESO=C(N[C@H]([C@@H](O)C(=O)O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F3NO4/c12-11(13,14)8(7(16)10(18)19)15-9(17)6-4-2-1-3-5-6/h1-5,7-8,16H,(H,15,17)(H,18,19)/t7-,8-/m1/s1
InChIKeyYOCWJRLHSFDBRQ-HTQZYQBOSA-N
XLogP0.79
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 95664
Alpha-Hydroxyhippuric acid
CID 450272
N-Benzoyl-L-aspartic acid
CID 205448
N-Benzoyl-3-phenylisoserine, (2R,3S)-
CID 2762289
N-Benzoyl-L-threonine methyl ester
CID 736181
3-Hydroxy-2-(phenylformamido)propanoic acid
CID 333801
Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, methyl ester, (alphaR,betaS)-
CID 182104
N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3739314
Benzoylthreonine
CID 101114
(S)-N-(1,4-dihydroxybutan-2-yl)benzamide
CID 2133730
Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate
CID 9883276
3-(Phenylformamido)butanoic acid
CID 12580047

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid?
The IUPAC name of (2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid (CID 11818231) is (2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid.
What is the SMILES notation for (2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid?
The canonical SMILES for (2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid is O=C(N[C@H]([C@@H](O)C(=O)O)C(F)(F)F)c1ccccc1.
What is the InChIKey of (2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid?
The InChIKey is YOCWJRLHSFDBRQ-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H10F3NO4/c12-11(13,14)8(7(16)10(18)19)15-9(17)6-4-2-1-3-5-6/h1-5,7-8,16H,(H,15,17)(H,18,19)/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid?
(2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid has a molecular weight of 277.20 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-benzamido-4,4,4-trifluoro-2-hydroxybutanoic acid is sourced from PubChem (CID 11818231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).