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

C11H17F3N2O3 — CID 55010135

IUPAC2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(F)(F)F)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H17F3N2O3/c1-2-15(7-11(12,13)14)10(19)16(6-9(17)18)5-8-3-4-8/h8H,2-7H2,1H3,(H,17,18)
InChIKeyUROUQAVRJCZWQB-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.79
Rot. Bonds6

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

2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 55010135) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID55010135
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(F)(F)F)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H17F3N2O3/c1-2-15(7-11(12,13)14)10(19)16(6-9(17)18)5-8-3-4-8/h8H,2-7H2,1H3,(H,17,18)
InChIKeyUROUQAVRJCZWQB-UHFFFAOYSA-N
XLogP1.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 55010135) is 2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is CCN(CC(F)(F)F)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is UROUQAVRJCZWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-15(7-11(12,13)14)10(19)16(6-9(17)18)5-8-3-4-8/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 55010135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).