2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid

C11H19F3N2O3 — CID 113327921

IUPAC2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(2)6-16(7-9(17)18)10(19)15-5-3-4-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMITBDLGGSBETHK-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.08
Rot. Bonds7

About 2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid

2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid (PubChem CID 113327921) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid
PubChem CID113327921
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(2)6-16(7-9(17)18)10(19)15-5-3-4-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMITBDLGGSBETHK-UHFFFAOYSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methylpropyl-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]amino]acetic acid
CID 113363333
2-[tert-butyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid
CID 115521249
3-[ethyl(4,4,4-trifluorobutylcarbamoyl)amino]butanoic acid
CID 113327926
2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066342
2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 103463265
2-[pentylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258372
2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid
CID 103995728
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 113363878
3-[bis(2-methylpropyl)carbamoylamino]propanoic acid
CID 61378500
4-[[2,2-dimethylpropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 122022173
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
2-[4-methylpentylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79286173

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid (CID 113327921) is 2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NCCCC(F)(F)F.
What is the InChIKey of 2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid?
The InChIKey is MITBDLGGSBETHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-8(2)6-16(7-9(17)18)10(19)15-5-3-4-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid?
2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid has a molecular weight of 284.28 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 113327921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).