2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid

C9H15F3N2O3 — CID 61204584

IUPAC2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-6(2)14(4-7(15)16)8(17)13(3)5-9(10,11)12/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyDAUCWTIYVQIQFQ-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.40
Rot. Bonds4

About 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid

2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid (PubChem CID 61204584) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid
PubChem CID61204584
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-6(2)14(4-7(15)16)8(17)13(3)5-9(10,11)12/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyDAUCWTIYVQIQFQ-UHFFFAOYSA-N
XLogP1.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 61198991
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid
CID 61197296
2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid
CID 55257505
2-[cyclopentyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61203827
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 79385927
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839636
2-methyl-3-oxo-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 114897583
2-[[2-(carboxymethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 120581080
2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258213
2-[but-3-en-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258697

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid (CID 61204584) is 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid?
The InChIKey is DAUCWTIYVQIQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-6(2)14(4-7(15)16)8(17)13(3)5-9(10,11)12/h6H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid?
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid has a molecular weight of 256.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61204584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).