methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

C14H27NO6 — CID 169107927

IUPACmethyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCOCCN(C(=O)OC(C)(C)C)C(COC)CC(=O)OC
InChIInChI=1S/C14H27NO6/c1-14(2,3)21-13(17)15(7-8-18-4)11(10-19-5)9-12(16)20-6/h11H,7-10H2,1-6H3
InChIKeyOVVLRKSONNOHBI-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.45
Rot. Bonds8

About methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (PubChem CID 169107927) has the molecular formula C14H27NO6 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
PubChem CID169107927
Molecular FormulaC14H27NO6
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Namemethyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCOCCN(C(=O)OC(C)(C)C)C(COC)CC(=O)OC
InChIInChI=1S/C14H27NO6/c1-14(2,3)21-13(17)15(7-8-18-4)11(10-19-5)9-12(16)20-6/h11H,7-10H2,1-6H3
InChIKeyOVVLRKSONNOHBI-UHFFFAOYSA-N
XLogP1.45
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The IUPAC name of methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (CID 169107927) is methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.
What is the SMILES notation for methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The canonical SMILES for methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is COCCN(C(=O)OC(C)(C)C)C(COC)CC(=O)OC.
What is the InChIKey of methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The InChIKey is OVVLRKSONNOHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO6/c1-14(2,3)21-13(17)15(7-8-18-4)11(10-19-5)9-12(16)20-6/h11H,7-10H2,1-6H3.
What are the key properties of methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate has a molecular weight of 305.37 g/mol, XLogP of 1.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is sourced from PubChem (CID 169107927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).