1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid

C9H13F3N2O3 — CID 113312278

IUPAC1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(CNCC(F)(F)F)NCC1(C(=O)O)CC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-3-6(15)14-4-8(1-2-8)7(16)17/h13H,1-5H2,(H,14,15)(H,16,17)
InChIKeyGKWGGLNEWXYBEY-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.12
Rot. Bonds6

About 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312278) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312278
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(CNCC(F)(F)F)NCC1(C(=O)O)CC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-3-6(15)14-4-8(1-2-8)7(16)17/h13H,1-5H2,(H,14,15)(H,16,17)
InChIKeyGKWGGLNEWXYBEY-UHFFFAOYSA-N
XLogP0.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 112699710
1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445234
N-[(1-cyclopropylcyclopropyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103839402
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924304
1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450729
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 115454888
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103801700
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 115878374
4-[(2,2,2-trifluoroethylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440293
4-[(4,4,4-trifluorobutanoylamino)methyl]oxane-4-carboxylic acid
CID 115438425
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79039779

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 113312278) is 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid is O=C(CNCC(F)(F)F)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is GKWGGLNEWXYBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-3-6(15)14-4-8(1-2-8)7(16)17/h13H,1-5H2,(H,14,15)(H,16,17).
What are the key properties of 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 254.21 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).