2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid

C6H9F3N2O3 — CID 43135808

IUPAC2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c1-11(2-4(12)13)5(14)10-3-6(7,8)9/h2-3H2,1H3,(H,10,14)(H,12,13)
InChIKeySSVCFDUEDQGYTH-UHFFFAOYSA-N
MW214.14 g/mol
LogP0.27
Rot. Bonds3

About 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid

2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid (PubChem CID 43135808) has the molecular formula C6H9F3N2O3 and a molecular weight of 214.14 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
PubChem CID43135808
Molecular FormulaC6H9F3N2O3
Molecular Weight214.14 g/mol
Exact Mass214.06
IUPAC Name2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c1-11(2-4(12)13)5(14)10-3-6(7,8)9/h2-3H2,1H3,(H,10,14)(H,12,13)
InChIKeySSVCFDUEDQGYTH-UHFFFAOYSA-N
XLogP0.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Carbamoylsarcosine
CID 439375
N-(Methylcarbamoyl)glycine
CID 16786632
Carbonyl-bisglycin
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CID 20818124
2-(Trifluoromethylcarbamoylamino)acetic acid
CID 108865859
(Carbonofluoridoylamino)methyl-(carboxymethyl)-dimethylazanium
CID 130266665
2-[(Carbonofluoridoylamino)methyl-dimethylazaniumyl]acetate
CID 140799671
2-[(3,3-Difluoroazetidine-1-carbonyl)amino]acetic acid
CID 165139852
1-Methyl-3-(2,2,2-trifluoroethyl)urea;2,2,2-trifluoroacetic acid
CID 171924344
Ethylurea;2,2,2-trifluoroacetic acid
CID 172705975
[[Carboxymethyl-(2,2,2-trifluoroacetyl)amino]-bis(methylamino)methyl]-sulfanylidenephosphanium
CID 173428730
2-Methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
CID 16786220

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid (CID 43135808) is 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid is CN(CC(=O)O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The InChIKey is SSVCFDUEDQGYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O3/c1-11(2-4(12)13)5(14)10-3-6(7,8)9/h2-3H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid has a molecular weight of 214.14 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 43135808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).