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

C10H15F3N2O3 — CID 79266036

IUPAC2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(CC1CC1)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-14(4-7-2-3-7)9(18)15(5-8(16)17)6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)
InChIKeyGJPNTTXHVVRCLY-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.40
Rot. Bonds5

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

2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266036) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266036
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(CC1CC1)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-14(4-7-2-3-7)9(18)15(5-8(16)17)6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)
InChIKeyGJPNTTXHVVRCLY-UHFFFAOYSA-N
XLogP1.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclobutylmethyl(ethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107400173
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265653
2-[[cyclopropylmethyl(methyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276638
2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952
2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 61444099
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid
CID 112662552
2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258875
2-[[methyl(thiolan-3-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265952
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
CID 63235476
2-[(4-ethylcyclohexyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263936

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266036) is 2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CN(CC1CC1)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is GJPNTTXHVVRCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-14(4-7-2-3-7)9(18)15(5-8(16)17)6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).