2-azaniumyl-5-methoxy-5-oxopentanoate

C6H11NO4 — CID 71463447

IUPAC2-azaniumyl-5-methoxy-5-oxopentanoate
SMILESCOC(=O)CCC([NH3+])C(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)
InChIKeyZGEYCCHDTIDZAE-UHFFFAOYSA-N
MW161.16 g/mol
LogP-2.70
Rot. Bonds4

About 2-azaniumyl-5-methoxy-5-oxopentanoate

2-azaniumyl-5-methoxy-5-oxopentanoate (PubChem CID 71463447) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-azaniumyl-5-methoxy-5-oxopentanoate.

Molecular Properties

Compound Name2-azaniumyl-5-methoxy-5-oxopentanoate
PubChem CID71463447
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-azaniumyl-5-methoxy-5-oxopentanoate
SMILESCOC(=O)CCC([NH3+])C(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)
InChIKeyZGEYCCHDTIDZAE-UHFFFAOYSA-N
XLogP-2.70
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-azaniumyl-5-methoxy-5-oxopentanoate?
The IUPAC name of 2-azaniumyl-5-methoxy-5-oxopentanoate (CID 71463447) is 2-azaniumyl-5-methoxy-5-oxopentanoate.
What is the SMILES notation for 2-azaniumyl-5-methoxy-5-oxopentanoate?
The canonical SMILES for 2-azaniumyl-5-methoxy-5-oxopentanoate is COC(=O)CCC([NH3+])C(=O)[O-].
What is the InChIKey of 2-azaniumyl-5-methoxy-5-oxopentanoate?
The InChIKey is ZGEYCCHDTIDZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10).
What are the key properties of 2-azaniumyl-5-methoxy-5-oxopentanoate?
2-azaniumyl-5-methoxy-5-oxopentanoate has a molecular weight of 161.16 g/mol, XLogP of -2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumyl-5-methoxy-5-oxopentanoate is sourced from PubChem (CID 71463447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).