3-methoxycarbonylazetidine-1-carboxylic acid

C6H9NO4 — CID 21113214

IUPAC3-methoxycarbonylazetidine-1-carboxylic acid
SMILESCOC(=O)C1CN(C(=O)O)C1
InChIInChI=1S/C6H9NO4/c1-11-5(8)4-2-7(3-4)6(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyXAEZTPQPRFHZDQ-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.23
Rot. Bonds1

About 3-methoxycarbonylazetidine-1-carboxylic acid

3-methoxycarbonylazetidine-1-carboxylic acid (PubChem CID 21113214) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 3-methoxycarbonylazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonylazetidine-1-carboxylic acid
PubChem CID21113214
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name3-methoxycarbonylazetidine-1-carboxylic acid
SMILESCOC(=O)C1CN(C(=O)O)C1
InChIInChI=1S/C6H9NO4/c1-11-5(8)4-2-7(3-4)6(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyXAEZTPQPRFHZDQ-UHFFFAOYSA-N
XLogP-0.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Boc-Azetidine-3-carboxylic acid
CID 2755981
1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate
CID 44607627
1-Acetylazetidine-3-carboxylic acid
CID 13374357
1-(1-Fluorobutoxycarbonyl)azetidine-3-carboxylic acid
CID 68871527
1-(Tert-butoxycarbonyl)azetidine-3-carboxylic-3-d acid
CID 164888821
1-Formylazetidine-3-carboxylic acid
CID 13374358
1-(Methoxycarbonyl)azetidine-3-carboxylic acid
CID 20598063
1-Propanoylazetidine-3-carboxylic acid
CID 20745844
Azetidine-1,3-dicarboxylic acid
CID 21113193
Methyl 1-methylazetidine-3-carboxylate
CID 22967068
1-Butoxycarbonylazetidine-3-carboxylic acid
CID 54366080
3-[(2-Methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid
CID 57454946

Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonylazetidine-1-carboxylic acid?
The IUPAC name of 3-methoxycarbonylazetidine-1-carboxylic acid (CID 21113214) is 3-methoxycarbonylazetidine-1-carboxylic acid.
What is the SMILES notation for 3-methoxycarbonylazetidine-1-carboxylic acid?
The canonical SMILES for 3-methoxycarbonylazetidine-1-carboxylic acid is COC(=O)C1CN(C(=O)O)C1.
What is the InChIKey of 3-methoxycarbonylazetidine-1-carboxylic acid?
The InChIKey is XAEZTPQPRFHZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-11-5(8)4-2-7(3-4)6(9)10/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of 3-methoxycarbonylazetidine-1-carboxylic acid?
3-methoxycarbonylazetidine-1-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonylazetidine-1-carboxylic acid is sourced from PubChem (CID 21113214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).