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

C10H17NO4 — CID 53234194

IUPAC3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C)(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-5-10(4,6-11)7(12)13/h5-6H2,1-4H3,(H,12,13)
InChIKeyFNWBDXQPGAIDQH-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.33
Rot. Bonds1

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

3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid (PubChem CID 53234194) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
PubChem CID53234194
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C)(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-5-10(4,6-11)7(12)13/h5-6H2,1-4H3,(H,12,13)
InChIKeyFNWBDXQPGAIDQH-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

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Related Compounds

1-Boc-Azetidine-3-carboxylic acid
CID 2755981
3-(Methylamino)propanoic acid, N-BOC protected
CID 2760952
3-{[(Tert-butoxy)carbonyl](2-carboxyethyl)amino}propanoic acid
CID 15666718
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
3-(((Tert-butoxy)carbonyl)(propan-2-yl)amino)propanoic acid
CID 15408230
3-(((Tert-butoxy)carbonyl)(methyl)amino)-2-methylpropanoic acid
CID 19854541
1-(1,1-Dimethylethyl) 3-ethyl-1,3-azetidinedicarboxylate
CID 45095729
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-butoxy)carbonyl]-3-hydroxyazetidine-3-carboxylic acid
CID 59859689

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid (CID 53234194) is 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
The InChIKey is FNWBDXQPGAIDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-5-10(4,6-11)7(12)13/h5-6H2,1-4H3,(H,12,13).
What are the key properties of 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-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-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 53234194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).