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

C8H10F3NO3 — CID 60999736

IUPAC2-[cyclopropylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12(4-6(13)14)3-5-1-2-5/h5H,1-4H2,(H,13,14)
InChIKeyGTPPQPATAZCKGV-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.87
Rot. Bonds4

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

2-[cyclopropylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 60999736) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID60999736
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name2-[cyclopropylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12(4-6(13)14)3-5-1-2-5/h5H,1-4H2,(H,13,14)
InChIKeyGTPPQPATAZCKGV-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

n-Isobutyl-n-(2,2,2-trifluoroacetyl)glycine
CID 11401896
2-[Cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 43655099
2-[Cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 43656564
2-[Cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
CID 43656735
2-[Cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55010135
2-[Cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60826230
2-[Cyclopropylmethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 60890840
2-[Cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid
CID 60922416
2-(N-cyclopropyl-2,2,2-trifluoroacetamido)acetic acid
CID 61000683
2-(2,2,2-trifluoro-N-propylacetamido)acetic acid
CID 61007367
2-[Propyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 61011804
2-[Cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61171766

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid (CID 60999736) is 2-[cyclopropylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)C(F)(F)F.
What is the InChIKey of 2-[cyclopropylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is GTPPQPATAZCKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12(4-6(13)14)3-5-1-2-5/h5H,1-4H2,(H,13,14).
What are the key properties of 2-[cyclopropylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
2-[cyclopropylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 225.17 g/mol, XLogP of 0.87, 4 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-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 60999736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).