ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid

C14H29NO4 — CID 145342097

IUPACethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid
SMILESCC.CC.CC1CN(C(=O)CCCC(=O)O)CCO1
InChIInChI=1S/C10H17NO4.2C2H6/c1-8-7-11(5-6-15-8)9(12)3-2-4-10(13)14;2*1-2/h8H,2-7H2,1H3,(H,13,14);2*1-2H3
InChIKeyADSGKRVYCYWAQP-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.54
Rot. Bonds4

About ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid

ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid (PubChem CID 145342097) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Nameethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid
PubChem CID145342097
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Nameethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid
SMILESCC.CC.CC1CN(C(=O)CCCC(=O)O)CCO1
InChIInChI=1S/C10H17NO4.2C2H6/c1-8-7-11(5-6-15-8)9(12)3-2-4-10(13)14;2*1-2/h8H,2-7H2,1H3,(H,13,14);2*1-2H3
InChIKeyADSGKRVYCYWAQP-UHFFFAOYSA-N
XLogP2.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid?
The IUPAC name of ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid (CID 145342097) is ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid.
What is the SMILES notation for ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid?
The canonical SMILES for ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid is CC.CC.CC1CN(C(=O)CCCC(=O)O)CCO1.
What is the InChIKey of ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid?
The InChIKey is ADSGKRVYCYWAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4.2C2H6/c1-8-7-11(5-6-15-8)9(12)3-2-4-10(13)14;2*1-2/h8H,2-7H2,1H3,(H,13,14);2*1-2H3.
What are the key properties of ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid?
ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid has a molecular weight of 275.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid is sourced from PubChem (CID 145342097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).