(3-formamido-2-propanoyloxypropyl) propanoate

C10H17NO5 — CID 89338078

IUPAC(3-formamido-2-propanoyloxypropyl) propanoate
SMILESCCC(=O)OCC(CNC=O)OC(=O)CC
InChIInChI=1S/C10H17NO5/c1-3-9(13)15-6-8(5-11-7-12)16-10(14)4-2/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeySQZVMTIUXRVUBQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.01
Rot. Bonds8

About (3-formamido-2-propanoyloxypropyl) propanoate

(3-formamido-2-propanoyloxypropyl) propanoate (PubChem CID 89338078) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (3-formamido-2-propanoyloxypropyl) propanoate.

Molecular Properties

Compound Name(3-formamido-2-propanoyloxypropyl) propanoate
PubChem CID89338078
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(3-formamido-2-propanoyloxypropyl) propanoate
SMILESCCC(=O)OCC(CNC=O)OC(=O)CC
InChIInChI=1S/C10H17NO5/c1-3-9(13)15-6-8(5-11-7-12)16-10(14)4-2/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeySQZVMTIUXRVUBQ-UHFFFAOYSA-N
XLogP0.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-formamido-2-propanoyloxypropyl) propanoate?
The IUPAC name of (3-formamido-2-propanoyloxypropyl) propanoate (CID 89338078) is (3-formamido-2-propanoyloxypropyl) propanoate.
What is the SMILES notation for (3-formamido-2-propanoyloxypropyl) propanoate?
The canonical SMILES for (3-formamido-2-propanoyloxypropyl) propanoate is CCC(=O)OCC(CNC=O)OC(=O)CC.
What is the InChIKey of (3-formamido-2-propanoyloxypropyl) propanoate?
The InChIKey is SQZVMTIUXRVUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-3-9(13)15-6-8(5-11-7-12)16-10(14)4-2/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of (3-formamido-2-propanoyloxypropyl) propanoate?
(3-formamido-2-propanoyloxypropyl) propanoate has a molecular weight of 231.25 g/mol, XLogP of 0.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formamido-2-propanoyloxypropyl) propanoate is sourced from PubChem (CID 89338078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).