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

C7H8F3NO3 — CID 61000683

IUPAC2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)6(14)11(3-5(12)13)4-1-2-4/h4H,1-3H2,(H,12,13)
InChIKeyBIJYUCUNWJSESO-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.62
Rot. Bonds3

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

2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 61000683) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID61000683
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)6(14)11(3-5(12)13)4-1-2-4/h4H,1-3H2,(H,12,13)
InChIKeyBIJYUCUNWJSESO-UHFFFAOYSA-N
XLogP0.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Carboxycyclopropylglycine
CID 19986922
2-Oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 61607477
2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 62626751
(2S)-2-[acetyl(ethyl)amino]-2,3,3-trifluoropropanoic acid
CID 87382971
2-[Formyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 89255481
(2S)-2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 94520530
(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 141046554
2-[(2-Fluoroacetyl)-propan-2-ylamino]acetic acid
CID 170383645
2-[Methyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 16776833
2-[Cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 43655099
2-[Cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60826230
2-[Butan-2-yl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60829896

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid (CID 61000683) is 2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid is O=C(O)CN(C(=O)C(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is BIJYUCUNWJSESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3/c8-7(9,10)6(14)11(3-5(12)13)4-1-2-4/h4H,1-3H2,(H,12,13).
What are the key properties of 2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 211.14 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 61000683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).