methyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate

C14H26N2O5 — CID 74317174

IUPACmethyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate
SMILESCOC(=O)C(CCC(N)=O)NCCC1OCC(C)(C)CO1
InChIInChI=1S/C14H26N2O5/c1-14(2)8-20-12(21-9-14)6-7-16-10(13(18)19-3)4-5-11(15)17/h10,12,16H,4-9H2,1-3H3,(H2,15,17)
InChIKeyRIDVWMNUMBIFPD-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.17
Rot. Bonds8

About methyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate

methyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate (PubChem CID 74317174) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate
PubChem CID74317174
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Namemethyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate
SMILESCOC(=O)C(CCC(N)=O)NCCC1OCC(C)(C)CO1
InChIInChI=1S/C14H26N2O5/c1-14(2)8-20-12(21-9-14)6-7-16-10(13(18)19-3)4-5-11(15)17/h10,12,16H,4-9H2,1-3H3,(H2,15,17)
InChIKeyRIDVWMNUMBIFPD-UHFFFAOYSA-N
XLogP0.17
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate?
The IUPAC name of methyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate (CID 74317174) is methyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate?
The canonical SMILES for methyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate is COC(=O)C(CCC(N)=O)NCCC1OCC(C)(C)CO1.
What is the InChIKey of methyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate?
The InChIKey is RIDVWMNUMBIFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-14(2)8-20-12(21-9-14)6-7-16-10(13(18)19-3)4-5-11(15)17/h10,12,16H,4-9H2,1-3H3,(H2,15,17).
What are the key properties of methyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate?
methyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate has a molecular weight of 302.37 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoate is sourced from PubChem (CID 74317174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).