methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate

C15H24N2O8 — CID 90672418

IUPACmethyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)[C@@H]1C[C@H]1N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C15H24N2O8/c1-22-12(18)6-16(7-13(19)23-2)10-5-11(10)17(8-14(20)24-3)9-15(21)25-4/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeySDOFERIMGRBGOU-GHMZBOCLSA-N
MW360.36 g/mol
LogP-1.58
Rot. Bonds10

About methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 90672418) has the molecular formula C15H24N2O8 and a molecular weight of 360.36 g/mol. Its IUPAC name is methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID90672418
Molecular FormulaC15H24N2O8
Molecular Weight360.36 g/mol
Exact Mass360.15
IUPAC Namemethyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)[C@@H]1C[C@H]1N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C15H24N2O8/c1-22-12(18)6-16(7-13(19)23-2)10-5-11(10)17(8-14(20)24-3)9-15(21)25-4/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeySDOFERIMGRBGOU-GHMZBOCLSA-N
XLogP-1.58
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate (CID 90672418) is methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)[C@@H]1C[C@H]1N(CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is SDOFERIMGRBGOU-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H24N2O8/c1-22-12(18)6-16(7-13(19)23-2)10-5-11(10)17(8-14(20)24-3)9-15(21)25-4/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 360.36 g/mol, XLogP of -1.58, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 90672418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).