2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid

C10H16F3NO3 — CID 114897580

IUPAC2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(C)C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-6(2)4-14(5-10(11,12)13)8(15)7(3)9(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)
InChIKeyMIIBPAPJBGSHQR-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.75
Rot. Bonds5

About 2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid

2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid (PubChem CID 114897580) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
PubChem CID114897580
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(C)C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-6(2)4-14(5-10(11,12)13)8(15)7(3)9(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)
InChIKeyMIIBPAPJBGSHQR-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic 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-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871893
2,2,2-trifluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63374882
3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 62230601
2-methyl-3-oxo-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 114897583
2,2,3,3-tetrafluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103733287
2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 65227637
2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60779660
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60947544
3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897540
3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 65269424
2-tert-butylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78877747
2-benzylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86998537

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid?
The IUPAC name of 2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid (CID 114897580) is 2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid is CC(C)CN(CC(F)(F)F)C(=O)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid?
The InChIKey is MIIBPAPJBGSHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-6(2)4-14(5-10(11,12)13)8(15)7(3)9(16)17/h6-7H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid?
2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 114897580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).