ethane;[methyl(4-oxobutanoyl)amino] propanoate

C10H19NO4 — CID 142408894

IUPACethane;[methyl(4-oxobutanoyl)amino] propanoate
SMILESCC.CCC(=O)ON(C)C(=O)CCC=O
InChIInChI=1S/C8H13NO4.C2H6/c1-3-8(12)13-9(2)7(11)5-4-6-10;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyIDMVGFPGFSXHCV-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.32
Rot. Bonds4

About ethane;[methyl(4-oxobutanoyl)amino] propanoate

ethane;[methyl(4-oxobutanoyl)amino] propanoate (PubChem CID 142408894) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethane;[methyl(4-oxobutanoyl)amino] propanoate.

Molecular Properties

Compound Nameethane;[methyl(4-oxobutanoyl)amino] propanoate
PubChem CID142408894
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethane;[methyl(4-oxobutanoyl)amino] propanoate
SMILESCC.CCC(=O)ON(C)C(=O)CCC=O
InChIInChI=1S/C8H13NO4.C2H6/c1-3-8(12)13-9(2)7(11)5-4-6-10;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyIDMVGFPGFSXHCV-UHFFFAOYSA-N
XLogP1.32
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;[methyl(4-oxobutanoyl)amino] propanoate?
The IUPAC name of ethane;[methyl(4-oxobutanoyl)amino] propanoate (CID 142408894) is ethane;[methyl(4-oxobutanoyl)amino] propanoate.
What is the SMILES notation for ethane;[methyl(4-oxobutanoyl)amino] propanoate?
The canonical SMILES for ethane;[methyl(4-oxobutanoyl)amino] propanoate is CC.CCC(=O)ON(C)C(=O)CCC=O.
What is the InChIKey of ethane;[methyl(4-oxobutanoyl)amino] propanoate?
The InChIKey is IDMVGFPGFSXHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4.C2H6/c1-3-8(12)13-9(2)7(11)5-4-6-10;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;[methyl(4-oxobutanoyl)amino] propanoate?
ethane;[methyl(4-oxobutanoyl)amino] propanoate has a molecular weight of 217.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[methyl(4-oxobutanoyl)amino] propanoate is sourced from PubChem (CID 142408894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).