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

C8H12F3NO2 — CID 43656564

IUPAC2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)CC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-12(4-7(13)14)3-6-1-2-6/h6H,1-5H2,(H,13,14)
InChIKeyDSKRENPEPBBYQT-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.35
Rot. Bonds5

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

2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 43656564) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID43656564
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)CC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-12(4-7(13)14)3-6-1-2-6/h6H,1-5H2,(H,13,14)
InChIKeyDSKRENPEPBBYQT-UHFFFAOYSA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 43656564) is 2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC1CC1)CC(F)(F)F.
What is the InChIKey of 2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DSKRENPEPBBYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)5-12(4-7(13)14)3-6-1-2-6/h6H,1-5H2,(H,13,14).
What are the key properties of 2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 211.18 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 43656564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).