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

C9H12F3NO4 — CID 61171766

IUPAC2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H12F3NO4/c10-9(11,12)5-17-8(16)13(4-7(14)15)3-6-1-2-6/h6H,1-5H2,(H,14,15)
InChIKeyOKEAHYBLHOVJBC-UHFFFAOYSA-N
MW255.19 g/mol
LogP1.48
Rot. Bonds5

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

2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (PubChem CID 61171766) has the molecular formula C9H12F3NO4 and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
PubChem CID61171766
Molecular FormulaC9H12F3NO4
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H12F3NO4/c10-9(11,12)5-17-8(16)13(4-7(14)15)3-6-1-2-6/h6H,1-5H2,(H,14,15)
InChIKeyOKEAHYBLHOVJBC-UHFFFAOYSA-N
XLogP1.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 43655099
2-[Cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 43655307
2-[Cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54961926
2-[Cyclopropylmethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 54962224
2-[N-(cyclopropylmethyl)-2,2,2-trifluoroacetamido]acetic acid
CID 60999736
2-[Butan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61169032
2-[Cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61170595
2-[Propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61171179
2-[2-Methylpropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 63065888
2-[Cyclopropylmethyl(4,4,4-trifluorobutanoyl)amino]acetic acid
CID 65712505
2-[Cyclopropylmethyl-[2-(trifluoromethoxy)ethyl]amino]acetic acid
CID 65806100
2-[Cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258135

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (CID 61171766) is 2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)OCC(F)(F)F.
What is the InChIKey of 2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The InChIKey is OKEAHYBLHOVJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO4/c10-9(11,12)5-17-8(16)13(4-7(14)15)3-6-1-2-6/h6H,1-5H2,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid has a molecular weight of 255.19 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 61171766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).