formyl 1-methylazetidine-3-carboxylate

C6H9NO3 — CID 174524829

IUPACformyl 1-methylazetidine-3-carboxylate
SMILESCN1CC(C(=O)OC=O)C1
InChIInChI=1S/C6H9NO3/c1-7-2-5(3-7)6(9)10-4-8/h4-5H,2-3H2,1H3
InChIKeyOMVJYBRODPFAPH-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.75
Rot. Bonds2

About formyl 1-methylazetidine-3-carboxylate

formyl 1-methylazetidine-3-carboxylate (PubChem CID 174524829) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is formyl 1-methylazetidine-3-carboxylate.

Molecular Properties

Compound Nameformyl 1-methylazetidine-3-carboxylate
PubChem CID174524829
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Nameformyl 1-methylazetidine-3-carboxylate
SMILESCN1CC(C(=O)OC=O)C1
InChIInChI=1S/C6H9NO3/c1-7-2-5(3-7)6(9)10-4-8/h4-5H,2-3H2,1H3
InChIKeyOMVJYBRODPFAPH-UHFFFAOYSA-N
XLogP-0.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze formyl 1-methylazetidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1,4-dimethyl-1,4-diazepane-6-carboxylate
CID 118068295
ethyl (3R,5S)-5-tert-butyl-1-methylpiperidine-3-carboxylate
CID 158572846
methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate
CID 112542985
(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid
CID 59778322
ethyl 1-methylpyrrolidine-3-carboxylate
CID 21202735
1-(1-methylazetidin-3-yl)propan-2-one
CID 83904810
(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane
CID 144942313
formyl 2-(3-methyl-2H-imidazol-1-yl)acetate
CID 175474682
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl 1-methylazetidine-3-carboxylate
CID 87106404
azane;formyl acetate
CID 87373456
(3R,4R)-4-(methoxymethyl)-1-methylpyrrolidin-3-ol
CID 140507745

Frequently Asked Questions

What is the IUPAC name of formyl 1-methylazetidine-3-carboxylate?
The IUPAC name of formyl 1-methylazetidine-3-carboxylate (CID 174524829) is formyl 1-methylazetidine-3-carboxylate.
What is the SMILES notation for formyl 1-methylazetidine-3-carboxylate?
The canonical SMILES for formyl 1-methylazetidine-3-carboxylate is CN1CC(C(=O)OC=O)C1.
What is the InChIKey of formyl 1-methylazetidine-3-carboxylate?
The InChIKey is OMVJYBRODPFAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-7-2-5(3-7)6(9)10-4-8/h4-5H,2-3H2,1H3.
What are the key properties of formyl 1-methylazetidine-3-carboxylate?
formyl 1-methylazetidine-3-carboxylate has a molecular weight of 143.14 g/mol, XLogP of -0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formyl 1-methylazetidine-3-carboxylate is sourced from PubChem (CID 174524829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).