2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid

C5H7F3N2O3 — CID 79792362

IUPAC2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(N)=O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O3/c1-4(2(11)12,5(6,7)8)10-3(9)13/h1H3,(H,11,12)(H3,9,10,13)
InChIKeyGYXLBRWJJUAQTD-UHFFFAOYSA-N
MW200.12 g/mol
LogP0.06
Rot. Bonds2

About 2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid

2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79792362) has the molecular formula C5H7F3N2O3 and a molecular weight of 200.12 g/mol. Its IUPAC name is 2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79792362
Molecular FormulaC5H7F3N2O3
Molecular Weight200.12 g/mol
Exact Mass200.04
IUPAC Name2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(N)=O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O3/c1-4(2(11)12,5(6,7)8)10-3(9)13/h1H3,(H,11,12)(H3,9,10,13)
InChIKeyGYXLBRWJJUAQTD-UHFFFAOYSA-N
XLogP0.06
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-(trifluoroacetamido)propanoic acid
CID 303594
2-(Carbamoylamino)-2-methylpropanoic acid
CID 4155322
Fluoro-ureido-propionic acid
CID 54428674
3,3,3-Trifluoro-2-methyl-2-(trifluoroacetamido)propanoicacid
CID 18179359
(2S)-3,3,3-trifluoro-2-methyl-2-(2,2,2-trifluoroacetamido)propanoic acid
CID 21138789
2-(Chlorocarbamoylamino)-2-methylpropanoic acid
CID 139246199
2-Methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
CID 16786220
2-Methyl-N-[methyl(2,2,2-trifluoroethyl)carbamoyl]alanine
CID 61265950
2-(Ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792020
2-[[Ethyl(methyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792025
2-(Dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792140
2-(Tert-butylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792465

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 79792362) is 2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is CC(NC(N)=O)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is GYXLBRWJJUAQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O3/c1-4(2(11)12,5(6,7)8)10-3(9)13/h1H3,(H,11,12)(H3,9,10,13).
What are the key properties of 2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 200.12 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79792362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).