3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid

C10H17NO4 — CID 90219659

IUPAC3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)C1(C)CN(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-7(12)10(4)5-11(6-10)8(13)14/h5-6H2,1-4H3,(H,13,14)
InChIKeyBDFLUJYHBNRYJG-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.33
Rot. Bonds1

About 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid

3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid (PubChem CID 90219659) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid
PubChem CID90219659
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)C1(C)CN(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-7(12)10(4)5-11(6-10)8(13)14/h5-6H2,1-4H3,(H,13,14)
InChIKeyBDFLUJYHBNRYJG-UHFFFAOYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic 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

1-Boc-Azetidine-3-carboxylic acid
CID 2755981
3-(Methylamino)propanoic acid, N-BOC protected
CID 2760952
1-[(Tert-butoxy)carbonyl]-3-fluoroazetidine-3-carboxylic acid
CID 25260274
1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate
CID 44607627
1-[(Tert-butoxy)carbonyl]-3-(ethoxycarbonyl)azetidine-3-carboxylic acid
CID 57415884
1-(1,1-Dimethylethyl) 3-ethyl-1,3-azetidinedicarboxylate
CID 45095729
1-((Tert-butoxy)carbonyl)-3-methylazetidine-3-carboxylic acid
CID 53234194
1-[(tert-Butoxy)carbonyl]-3-(fluoromethyl)azetidine-3-carboxylic acid
CID 58438919
1-[(Tert-butoxy)carbonyl]-3-(methoxymethyl)azetidine-3-carboxylic acid
CID 59569585
1-tert-Butyl 3-ethyl azetidine-1,3-dicarboxylate
CID 53485131
3-[(Tert-butoxy)carbonyl]-3-fluoroazetidine-1-carboxylic acid
CID 89542446
1-Tert-butyl 3-methyl 3-(fluoromethyl)azetidine-1,3-dicarboxylate
CID 135392979

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid?
The IUPAC name of 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid (CID 90219659) is 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid?
The canonical SMILES for 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid is CC(C)(C)OC(=O)C1(C)CN(C(=O)O)C1.
What is the InChIKey of 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid?
The InChIKey is BDFLUJYHBNRYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-9(2,3)15-7(12)10(4)5-11(6-10)8(13)14/h5-6H2,1-4H3,(H,13,14).
What are the key properties of 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid?
3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 90219659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).