2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid

C8H10F3NO4 — CID 61170595

IUPAC2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)OCC(F)(F)F)C1CC1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12(3-6(13)14)5-1-2-5/h5H,1-4H2,(H,13,14)
InChIKeyOABSXCXPCZFWEX-UHFFFAOYSA-N
MW241.16 g/mol
LogP1.23
Rot. Bonds4

About 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid

2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (PubChem CID 61170595) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
PubChem CID61170595
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)OCC(F)(F)F)C1CC1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12(3-6(13)14)5-1-2-5/h5H,1-4H2,(H,13,14)
InChIKeyOABSXCXPCZFWEX-UHFFFAOYSA-N
XLogP1.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54946251
2-[Cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60826230
2-(N-cyclopropyl-2,2,2-trifluoroacetamido)acetic acid
CID 61000683
2-[Butan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61169032
2-[Propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61169229
3-[Cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid
CID 61169425
2-[Propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61171179
2-[Cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61171766
2-[Cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61171963
Methyl 2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
CID 61236525
2-[Cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490820
Ethyl 2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetate
CID 61601065

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (CID 61170595) is 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is O=C(O)CN(C(=O)OCC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The InChIKey is OABSXCXPCZFWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12(3-6(13)14)5-1-2-5/h5H,1-4H2,(H,13,14).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid has a molecular weight of 241.16 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 61170595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).