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

C9H13F3N2O3 — CID 79258875

IUPAC2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCC1CC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-14(4-7(15)16)8(17)13-3-6-1-2-6/h6H,1-5H2,(H,13,17)(H,15,16)
InChIKeyUXVAIBHDLCFYQW-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.05
Rot. Bonds5

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

2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258875) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258875
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCC1CC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-14(4-7(15)16)8(17)13-3-6-1-2-6/h6H,1-5H2,(H,13,17)(H,15,16)
InChIKeyUXVAIBHDLCFYQW-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265902
2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263691
2-[oxan-2-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266128
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
CID 55246133
2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 79266783
2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258950
2-[(4-ethylcyclohexyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263936
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[1-cyclopropylbutan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266742
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266291
2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265881

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258875) is 2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)NCC1CC1.
What is the InChIKey of 2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is UXVAIBHDLCFYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)5-14(4-7(15)16)8(17)13-3-6-1-2-6/h6H,1-5H2,(H,13,17)(H,15,16).
What are the key properties of 2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 254.21 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).