2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid

C5H6F3NO3 — CID 122513396

IUPAC2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid
SMILESC[C@@H](NC(=O)C(=O)O)C(F)(F)F
InChIInChI=1S/C5H6F3NO3/c1-2(5(6,7)8)9-3(10)4(11)12/h2H,1H3,(H,9,10)(H,11,12)/t2-/m1/s1
InChIKeyWMKALBUAKMWOQJ-UWTATZPHSA-N
MW185.10 g/mol
LogP0.14
Rot. Bonds1

About 2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid

2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid (PubChem CID 122513396) has the molecular formula C5H6F3NO3 and a molecular weight of 185.10 g/mol. Its IUPAC name is 2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid
PubChem CID122513396
Molecular FormulaC5H6F3NO3
Molecular Weight185.10 g/mol
Exact Mass185.03
IUPAC Name2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid
SMILESC[C@@H](NC(=O)C(=O)O)C(F)(F)F
InChIInChI=1S/C5H6F3NO3/c1-2(5(6,7)8)9-3(10)4(11)12/h2H,1H3,(H,9,10)(H,11,12)/t2-/m1/s1
InChIKeyWMKALBUAKMWOQJ-UWTATZPHSA-N
XLogP0.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate
CID 155330526
2-oxo-2-(propan-2-ylamino)acetic acid
CID 7183008
4-(3,3-dimethylbutan-2-ylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 104827527
2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide
CID 131998274
2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 141429332
3-chloro-1,5-dimethyl-4-[2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-2-carboxylic acid
CID 121409846
(E)-3-(1,1,1-trifluoropropan-2-ylamino)prop-2-enoic acid
CID 131242265
3-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid
CID 154663306
2-(3-ethylpentan-2-ylamino)-2-oxoacetic acid
CID 63836816
2-(1-cyclopropylethylamino)-2-oxoacetic acid
CID 43533725
2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid
CID 55289959
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid?
The IUPAC name of 2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid (CID 122513396) is 2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid is C[C@@H](NC(=O)C(=O)O)C(F)(F)F.
What is the InChIKey of 2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid?
The InChIKey is WMKALBUAKMWOQJ-UWTATZPHSA-N. The full InChI is InChI=1S/C5H6F3NO3/c1-2(5(6,7)8)9-3(10)4(11)12/h2H,1H3,(H,9,10)(H,11,12)/t2-/m1/s1.
What are the key properties of 2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid?
2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid has a molecular weight of 185.10 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid is sourced from PubChem (CID 122513396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).