2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

C10H17F3N2O3 — CID 61204017

IUPAC2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-4-7(2)15(5-8(16)17)9(18)14(3)6-10(11,12)13/h7H,4-6H2,1-3H3,(H,16,17)
InChIKeyCIGHOHWXMZOKOZ-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.79
Rot. Bonds5

About 2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 61204017) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID61204017
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-4-7(2)15(5-8(16)17)9(18)14(3)6-10(11,12)13/h7H,4-6H2,1-3H3,(H,16,17)
InChIKeyCIGHOHWXMZOKOZ-UHFFFAOYSA-N
XLogP1.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[Bis(dimethylamino)-thiophosphorosomethyl]-(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 53923718
2-[Tert-butyl-(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid
CID 176026042
2-[[Bis(dipropylamino)-thiophosphorosomethyl]-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 53941560
2-[Cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 54978392
2-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009420
2-[Propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009471
2-[Cyclopropyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009518
2-[Ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009519
(2S)-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009566
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid
CID 55009611
2-[Methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009616
2-[Cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009858

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 61204017) is 2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is CIGHOHWXMZOKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-4-7(2)15(5-8(16)17)9(18)14(3)6-10(11,12)13/h7H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 270.25 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61204017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).