methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate

C13H15NO5 — CID 129285191

IUPACmethyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate
SMILESCOC(=O)C1(NC(=O)OCc2ccccc2)COC1
InChIInChI=1S/C13H15NO5/c1-17-11(15)13(8-18-9-13)14-12(16)19-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16)
InChIKeyZAORSPASBWSBCP-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.85
Rot. Bonds4

About methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate

methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate (PubChem CID 129285191) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate
PubChem CID129285191
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namemethyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate
SMILESCOC(=O)C1(NC(=O)OCc2ccccc2)COC1
InChIInChI=1S/C13H15NO5/c1-17-11(15)13(8-18-9-13)14-12(16)19-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16)
InChIKeyZAORSPASBWSBCP-UHFFFAOYSA-N
XLogP0.85
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(phenylmethoxycarbonylamino)oxetane-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 (2R,3R)-2,3-dimethyl-8-(phenylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 101468170
trans-methyl (4R,5R)-4,5-dimethoxy-1-(phenylmethoxycarbonylamino)cycloheptane-1-carboxylate
CID 23629479
methyl (2R,3R)-8-[[(2R,3R)-2,3-dimethyl-8-(phenylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carbonyl]amino]-2,3-dimethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 101481496
methyl (8S,11R)-8-methyl-3-(phenylmethoxycarbonylamino)-11-propan-2-yl-1,5-dioxaspiro[5.5]undecane-3-carboxylate
CID 132558026
methyl 3-(aminomethyl)-1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 117272484
methyl 4-(phenylmethoxycarbonylamino)bicyclo[2.2.1]heptane-1-carboxylate
CID 57467426
trans-methyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate
CID 101253241
4-(phenylmethoxycarbonylamino)-1,3-dihydroisochromene-4-carboxylic acid
CID 107149890
ethyl 2-[3-(phenylmethoxycarbonylamino)oxetan-3-yl]propanoate;2-[3-(phenylmethoxycarbonylamino)oxetan-3-yl]propanoic acid
CID 159072303
2-trimethylsilylethyl 1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 23252917
methyl 4-[[methyl-[3-(phenylmethoxycarbonylamino)oxolane-3-carbonyl]amino]methyl]benzoate
CID 75451248
methyl 4-[[methyl-[(3S)-3-(phenylmethoxycarbonylamino)oxolane-3-carbonyl]amino]methyl]benzoate
CID 97345895

Frequently Asked Questions

What is the IUPAC name of methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate?
The IUPAC name of methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate (CID 129285191) is methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate?
The canonical SMILES for methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate is COC(=O)C1(NC(=O)OCc2ccccc2)COC1.
What is the InChIKey of methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate?
The InChIKey is ZAORSPASBWSBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-17-11(15)13(8-18-9-13)14-12(16)19-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16).
What are the key properties of methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate?
methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate has a molecular weight of 265.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate is sourced from PubChem (CID 129285191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).