3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid

C6H9F2NO4 — CID 106107877

IUPAC3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C(F)F)C(=O)O
InChIInChI=1S/C6H9F2NO4/c1-13-3(6(11)12)2-9-5(10)4(7)8/h3-4H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyNMDWWPIPTWHPMW-UHFFFAOYSA-N
MW197.14 g/mol
LogP-0.53
Rot. Bonds5

About 3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid

3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid (PubChem CID 106107877) has the molecular formula C6H9F2NO4 and a molecular weight of 197.14 g/mol. Its IUPAC name is 3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
PubChem CID106107877
Molecular FormulaC6H9F2NO4
Molecular Weight197.14 g/mol
Exact Mass197.05
IUPAC Name3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C(F)F)C(=O)O
InChIInChI=1S/C6H9F2NO4/c1-13-3(6(11)12)2-9-5(10)4(7)8/h3-4H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyNMDWWPIPTWHPMW-UHFFFAOYSA-N
XLogP-0.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
3-(2-ethylbutanoylamino)-2-methoxypropanoic acid
CID 106107186
3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
CID 106107430
3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid
CID 106108985
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 106108243
3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107464
3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid
CID 114144281
3-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106110715
3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106107057
3-[(4-fluorophenyl)methylcarbamoylamino]-2-methoxypropanoic acid
CID 106109659
3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid
CID 106108860
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid
CID 106108926

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid (CID 106107877) is 3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)C(F)F)C(=O)O.
What is the InChIKey of 3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid?
The InChIKey is NMDWWPIPTWHPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO4/c1-13-3(6(11)12)2-9-5(10)4(7)8/h3-4H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid?
3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid has a molecular weight of 197.14 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106107877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).