(5-ethoxy-1,5-dioxopentan-2-yl)azanide

C7H12NO3- — CID 140663080

IUPAC(5-ethoxy-1,5-dioxopentan-2-yl)azanide
SMILESCCOC(=O)CCC([NH-])C=O
InChIInChI=1S/C7H12NO3/c1-2-11-7(10)4-3-6(8)5-9/h5-6,8H,2-4H2,1H3/q-1
InChIKeyDDYAHUSOUDRNHE-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.95
Rot. Bonds5

About (5-ethoxy-1,5-dioxopentan-2-yl)azanide

(5-ethoxy-1,5-dioxopentan-2-yl)azanide (PubChem CID 140663080) has the molecular formula C7H12NO3- and a molecular weight of 158.18 g/mol. Its IUPAC name is (5-ethoxy-1,5-dioxopentan-2-yl)azanide.

Molecular Properties

Compound Name(5-ethoxy-1,5-dioxopentan-2-yl)azanide
PubChem CID140663080
Molecular FormulaC7H12NO3-
Molecular Weight158.18 g/mol
Exact Mass158.08
IUPAC Name(5-ethoxy-1,5-dioxopentan-2-yl)azanide
SMILESCCOC(=O)CCC([NH-])C=O
InChIInChI=1S/C7H12NO3/c1-2-11-7(10)4-3-6(8)5-9/h5-6,8H,2-4H2,1H3/q-1
InChIKeyDDYAHUSOUDRNHE-UHFFFAOYSA-N
XLogP0.95
TPSA67.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-formylhexanoate
CID 11019327
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
diethyl 4-iodoheptanedioate
CID 102577942
acetylene;diethyl 2-aminopentanedioate;methane
CID 174943147
diethyl 4-acetylheptanedioate
CID 15669145
diethyl (2S)-2-methylpentanedioate
CID 89120789
ethyl 4-methyl-8-oxooctanoate
CID 71371354
ethyl butanoate;formic acid
CID 160963123
diethyl 4-(methylamino)heptanedioate
CID 88543894
ethyl 4-amino-5-fluoropentanoate
CID 13477556
(2S)-2-(dimethylamino)-5-ethoxy-5-oxopentanoic acid
CID 131858946
1-O-ethyl 4-O-formyl butanedioate
CID 91193992

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1,5-dioxopentan-2-yl)azanide?
The IUPAC name of (5-ethoxy-1,5-dioxopentan-2-yl)azanide (CID 140663080) is (5-ethoxy-1,5-dioxopentan-2-yl)azanide.
What is the SMILES notation for (5-ethoxy-1,5-dioxopentan-2-yl)azanide?
The canonical SMILES for (5-ethoxy-1,5-dioxopentan-2-yl)azanide is CCOC(=O)CCC([NH-])C=O.
What is the InChIKey of (5-ethoxy-1,5-dioxopentan-2-yl)azanide?
The InChIKey is DDYAHUSOUDRNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO3/c1-2-11-7(10)4-3-6(8)5-9/h5-6,8H,2-4H2,1H3/q-1.
What are the key properties of (5-ethoxy-1,5-dioxopentan-2-yl)azanide?
(5-ethoxy-1,5-dioxopentan-2-yl)azanide has a molecular weight of 158.18 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-1,5-dioxopentan-2-yl)azanide is sourced from PubChem (CID 140663080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).