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

C10H17NO4 — CID 126721603

IUPAC(2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=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)/t6-,7+/m1/s1
InChIKeyCWCHGLNUHDOFHF-RQJHMYQMSA-N
MW215.25 g/mol
LogP1.33
Rot. Bonds1

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

(2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid (PubChem CID 126721603) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
PubChem CID126721603
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=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)/t6-,7+/m1/s1
InChIKeyCWCHGLNUHDOFHF-RQJHMYQMSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid (CID 126721603) is (2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid is C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O.
What is the InChIKey of (2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
The InChIKey is CWCHGLNUHDOFHF-RQJHMYQMSA-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)/t6-,7+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
(2S,3R)-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 (2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 126721603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).