methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate

C7H13NO3 — CID 170710981

IUPACmethyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate
SMILESCOC(=O)N1CC(C)(CO)C1
InChIInChI=1S/C7H13NO3/c1-7(5-9)3-8(4-7)6(10)11-2/h9H,3-5H2,1-2H3
InChIKeyNGRJMQBLHVZWEH-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.07
Rot. Bonds1

About methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate

methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate (PubChem CID 170710981) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate
PubChem CID170710981
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Namemethyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate
SMILESCOC(=O)N1CC(C)(CO)C1
InChIInChI=1S/C7H13NO3/c1-7(5-9)3-8(4-7)6(10)11-2/h9H,3-5H2,1-2H3
InChIKeyNGRJMQBLHVZWEH-UHFFFAOYSA-N
XLogP0.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate
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ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
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methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
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2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid
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2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid
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3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide
CID 110024481
methyl 3,5-bis(hydroxymethyl)-1,3,5-trimethylcyclohexane-1-carboxylate
CID 138319906
3,3-dimethoxy-1-methoxycarbonylpiperidine-4-carboxylic acid
CID 68714181
methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 83907147
(4S)-3,3-dimethoxy-1-methoxycarbonylpiperidine-4-carboxylic acid
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1-[3-(methoxymethyl)-3-methylazetidin-1-yl]prop-2-en-1-one
CID 136555808

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate?
The IUPAC name of methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate (CID 170710981) is methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate.
What is the SMILES notation for methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate?
The canonical SMILES for methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate is COC(=O)N1CC(C)(CO)C1.
What is the InChIKey of methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate?
The InChIKey is NGRJMQBLHVZWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(5-9)3-8(4-7)6(10)11-2/h9H,3-5H2,1-2H3.
What are the key properties of methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate?
methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate has a molecular weight of 159.19 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate is sourced from PubChem (CID 170710981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).