methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C13H22N2O5 — CID 169194354

IUPACmethyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)C1CN(C(C)=O)C1
InChIInChI=1S/C13H22N2O5/c1-8(16)15-6-9(7-15)10(11(17)19-5)14-12(18)20-13(2,3)4/h9-10H,6-7H2,1-5H3,(H,14,18)
InChIKeyDKZVCWZWNFAVGM-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.53
Rot. Bonds3

About methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 169194354) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID169194354
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Namemethyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)C1CN(C(C)=O)C1
InChIInChI=1S/C13H22N2O5/c1-8(16)15-6-9(7-15)10(11(17)19-5)14-12(18)20-13(2,3)4/h9-10H,6-7H2,1-5H3,(H,14,18)
InChIKeyDKZVCWZWNFAVGM-UHFFFAOYSA-N
XLogP0.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]azetidine-1-carboxylic acid
CID 141430823
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-4-ylacetate
CID 86309585
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetate
CID 42614608
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-oxocyclohexyl)acetate
CID 58911914
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10989869
methyl 2-(1-acetylazetidin-3-yl)-2-(phenylmethoxycarbonylamino)acetate
CID 90299544
dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate
CID 70211092
2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 158473045
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetate
CID 59575613
tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate
CID 130156540
methyl 3-[1-acetyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]propanoate
CID 112544479

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 169194354) is methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is COC(=O)C(NC(=O)OC(C)(C)C)C1CN(C(C)=O)C1.
What is the InChIKey of methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is DKZVCWZWNFAVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-8(16)15-6-9(7-15)10(11(17)19-5)14-12(18)20-13(2,3)4/h9-10H,6-7H2,1-5H3,(H,14,18).
What are the key properties of methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 286.33 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 169194354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).