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

C10H17NO4 — CID 67222802

IUPAC3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
SMILESCC1CN(C(=O)OC(C)(C)C)C1C(=O)O
InChIInChI=1S/C10H17NO4/c1-6-5-11(7(6)8(12)13)9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)
InChIKeyCWCHGLNUHDOFHF-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.33
Rot. Bonds1

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

3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid (PubChem CID 67222802) 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-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
PubChem CID67222802
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
SMILESCC1CN(C(=O)OC(C)(C)C)C1C(=O)O
InChIInChI=1S/C10H17NO4/c1-6-5-11(7(6)8(12)13)9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)
InChIKeyCWCHGLNUHDOFHF-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

Boc-N-methyl-L-valine
CID 7010608
(S)-Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CID 14821736
1-[(Tert-butoxy)carbonyl]azetidine-2-carboxylic acid
CID 3623886
(2R)-1-[(tert-butoxy)carbonyl]azetidine-2-carboxylic acid
CID 7009128
2-(1-(Tert-butoxycarbonyl)azetidin-3-yl)acetic acid
CID 11095989
2-{1-[(Tert-butoxy)carbonyl]azetidin-3-yl}propanoic acid
CID 68209765
(2S)-1-((tert-butoxy)carbonyl)azetidine-2-carboxylic acid
CID 2734495
Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CID 14821735
1-[(Tert-butoxy)carbonyl]-2-methylazetidine-2-carboxylic acid
CID 21866332
2-(1-((Tert-butoxy)carbonyl)-3-hydroxyazetidin-3-yl)acetic acid
CID 58520763
1-[(Tert-butoxy)carbonyl]-3,3-difluoroazetidine-2-carboxylic acid
CID 73553996
5-((Tert-butoxy)carbonyl)-5-azaspiro(2.3)hexane-4-carboxylic acid
CID 118997478

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid (CID 67222802) is 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid is CC1CN(C(=O)OC(C)(C)C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
The InChIKey is CWCHGLNUHDOFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6-5-11(7(6)8(12)13)9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,13).
What are the key properties of 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-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-2-carboxylic acid is sourced from PubChem (CID 67222802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).