3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid

C9H13F3N2O5 — CID 79801188

IUPAC3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid
SMILESCOC(=O)CCNC(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O5/c1-8(6(16)17,9(10,11)12)14-7(18)13-4-3-5(15)19-2/h3-4H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyHJFOOJYPPRYPHO-UHFFFAOYSA-N
MW286.21 g/mol
LogP0.25
Rot. Bonds5

About 3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid

3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid (PubChem CID 79801188) has the molecular formula C9H13F3N2O5 and a molecular weight of 286.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid
PubChem CID79801188
Molecular FormulaC9H13F3N2O5
Molecular Weight286.21 g/mol
Exact Mass286.08
IUPAC Name3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid
SMILESCOC(=O)CCNC(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O5/c1-8(6(16)17,9(10,11)12)14-7(18)13-4-3-5(15)19-2/h3-4H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyHJFOOJYPPRYPHO-UHFFFAOYSA-N
XLogP0.25
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-2-methyl-2-(propylcarbamoylamino)propanoic acid
CID 79793400
2-(butylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793296
2-[(5-amino-5-oxopentyl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 106239078
3,3,3-trifluoro-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid
CID 113450651
3,3,3-trifluoro-2-methyl-2-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82944077
3,3,3-trifluoro-2-methyl-2-(3-sulfamoylpropylcarbamoylamino)propanoic acid
CID 79801914
2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 106341376
2-(2-but-3-enoxyethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 106405118
2-(3-cyclopentylpropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 106005369
3,3,3-trifluoro-2-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)propanoic acid
CID 79791519
3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 79801337
4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
CID 61300129

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid (CID 79801188) is 3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid is COC(=O)CCNC(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid?
The InChIKey is HJFOOJYPPRYPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O5/c1-8(6(16)17,9(10,11)12)14-7(18)13-4-3-5(15)19-2/h3-4H2,1-2H3,(H,16,17)(H2,13,14,18).
What are the key properties of 3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid?
3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid has a molecular weight of 286.21 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-methoxy-3-oxopropyl)carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 79801188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).