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

C10H17NO4 — CID 130003976

IUPAC4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
SMILESCC1CC(C(=O)O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-6-5-7(8(12)13)11(6)9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)
InChIKeySZFDJSLFSMVIOM-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.47
Rot. Bonds1

About 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid

4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid (PubChem CID 130003976) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
PubChem CID130003976
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
SMILESCC1CC(C(=O)O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-6-5-7(8(12)13)11(6)9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)
InChIKeySZFDJSLFSMVIOM-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid
CID 7010555
(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
N-alpha-t-Butyloxycarbonyl-N-alpha-methyl-L-isoleucine
CID 7017970
(2S)-1-((tert-butoxy)carbonyl)azetidine-2-carboxylic acid
CID 2734495
2-(((Tert-butoxy)carbonyl)(methyl)amino)-3-methylpentanoic acid
CID 3348571
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
1-((Tert-butoxy)carbonyl)-3-methylazetidine-2-carboxylic acid
CID 67222802
1-[(Tert-butoxy)carbonyl]-3,3-difluoroazetidine-2-carboxylic acid
CID 73553996
rac-(2R,3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid
CID 126721603

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid (CID 130003976) is 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid is CC1CC(C(=O)O)N1C(=O)OC(C)(C)C.
What is the InChIKey of 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
The InChIKey is SZFDJSLFSMVIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6-5-7(8(12)13)11(6)9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,13).
What are the key properties of 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 130003976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).