[butanoyl(formyl)amino] acetate

C7H11NO4 — CID 89134926

IUPAC[butanoyl(formyl)amino] acetate
SMILESCCCC(=O)N(C=O)OC(C)=O
InChIInChI=1S/C7H11NO4/c1-3-4-7(11)8(5-9)12-6(2)10/h5H,3-4H2,1-2H3
InChIKeyPMPUEUHATARDRL-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.25
Rot. Bonds3

About [butanoyl(formyl)amino] acetate

[butanoyl(formyl)amino] acetate (PubChem CID 89134926) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is [butanoyl(formyl)amino] acetate.

Molecular Properties

Compound Name[butanoyl(formyl)amino] acetate
PubChem CID89134926
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name[butanoyl(formyl)amino] acetate
SMILESCCCC(=O)N(C=O)OC(C)=O
InChIInChI=1S/C7H11NO4/c1-3-4-7(11)8(5-9)12-6(2)10/h5H,3-4H2,1-2H3
InChIKeyPMPUEUHATARDRL-UHFFFAOYSA-N
XLogP0.25
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.25
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 [butanoyl(formyl)amino] acetate?
The IUPAC name of [butanoyl(formyl)amino] acetate (CID 89134926) is [butanoyl(formyl)amino] acetate.
What is the SMILES notation for [butanoyl(formyl)amino] acetate?
The canonical SMILES for [butanoyl(formyl)amino] acetate is CCCC(=O)N(C=O)OC(C)=O.
What is the InChIKey of [butanoyl(formyl)amino] acetate?
The InChIKey is PMPUEUHATARDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-3-4-7(11)8(5-9)12-6(2)10/h5H,3-4H2,1-2H3.
What are the key properties of [butanoyl(formyl)amino] acetate?
[butanoyl(formyl)amino] acetate has a molecular weight of 173.17 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butanoyl(formyl)amino] acetate is sourced from PubChem (CID 89134926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).