dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate

C15H23NO8 — CID 70211092

IUPACdimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)C1[C@H](NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C15H23NO8/c1-15(2,3)24-14(20)16-10(13(19)23-6)7-8(11(17)21-4)9(7)12(18)22-5/h7-10H,1-6H3,(H,16,20)/t7?,8?,9?,10-/m0/s1
InChIKeyJZZDZEFYAQURAN-VVIYDGDNSA-N
MW345.35 g/mol
LogP0.26
Rot. Bonds5

About dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate

dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate (PubChem CID 70211092) has the molecular formula C15H23NO8 and a molecular weight of 345.35 g/mol. Its IUPAC name is dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate
PubChem CID70211092
Molecular FormulaC15H23NO8
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Namedimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)C1[C@H](NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C15H23NO8/c1-15(2,3)24-14(20)16-10(13(19)23-6)7-8(11(17)21-4)9(7)12(18)22-5/h7-10H,1-6H3,(H,16,20)/t7?,8?,9?,10-/m0/s1
InChIKeyJZZDZEFYAQURAN-VVIYDGDNSA-N
XLogP0.26
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate with MolForge

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Related Compounds

cis-ethyl (1R,3R)-2-[2-ethoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate
CID 57245527
cis-dimethyl (1R,2S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1,2-dicarboxylate
CID 83920487
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
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 (1S,2S,3R)-2-[(1S)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-methylcyclopropane-1-carboxylate
CID 11043943
methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 169194354
3-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]azetidine-1-carboxylic acid
CID 141430823
(2S)-2-[(1S,2R,3R)-2-ethoxycarbonyl-3-(hydroxymethyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 18343189
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10989869
methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 123732561

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate?
The IUPAC name of dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate (CID 70211092) is dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate is COC(=O)C1C(C(=O)OC)C1[C@H](NC(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate?
The InChIKey is JZZDZEFYAQURAN-VVIYDGDNSA-N. The full InChI is InChI=1S/C15H23NO8/c1-15(2,3)24-14(20)16-10(13(19)23-6)7-8(11(17)21-4)9(7)12(18)22-5/h7-10H,1-6H3,(H,16,20)/t7?,8?,9?,10-/m0/s1.
What are the key properties of dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate?
dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate has a molecular weight of 345.35 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate is sourced from PubChem (CID 70211092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).