2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

C10H15F3N2O3 — CID 55009899

IUPAC2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(F)(F)F)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-14(6-10(11,12)13)9(18)15(5-8(16)17)7-3-4-7/h7H,2-6H2,1H3,(H,16,17)
InChIKeyLHDKBNYOGFVJMK-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.54
Rot. Bonds5

About 2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 55009899) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID55009899
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(F)(F)F)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-14(6-10(11,12)13)9(18)15(5-8(16)17)7-3-4-7/h7H,2-6H2,1H3,(H,16,17)
InChIKeyLHDKBNYOGFVJMK-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[Cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 54978392
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
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(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 55009662
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009809
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009856
2-[Cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009858
2-[Butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009900
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid
CID 55009904

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 55009899) is 2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is CCN(CC(F)(F)F)C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is LHDKBNYOGFVJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-2-14(6-10(11,12)13)9(18)15(5-8(16)17)7-3-4-7/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 55009899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).