methyl 3-[formyl(methyl)amino]propanoate

C6H11NO3 — CID 19824068

IUPACmethyl 3-[formyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)C=O
InChIInChI=1S/C6H11NO3/c1-7(5-8)4-3-6(9)10-2/h5H,3-4H2,1-2H3
InChIKeySFCZYTAUNOIYEU-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.36
Rot. Bonds4

About methyl 3-[formyl(methyl)amino]propanoate

methyl 3-[formyl(methyl)amino]propanoate (PubChem CID 19824068) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 3-[formyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[formyl(methyl)amino]propanoate
PubChem CID19824068
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 3-[formyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)C=O
InChIInChI=1S/C6H11NO3/c1-7(5-8)4-3-6(9)10-2/h5H,3-4H2,1-2H3
InChIKeySFCZYTAUNOIYEU-UHFFFAOYSA-N
XLogP-0.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[formyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[formyl(methyl)amino]propanoate (CID 19824068) is methyl 3-[formyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[formyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[formyl(methyl)amino]propanoate is COC(=O)CCN(C)C=O.
What is the InChIKey of methyl 3-[formyl(methyl)amino]propanoate?
The InChIKey is SFCZYTAUNOIYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7(5-8)4-3-6(9)10-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 3-[formyl(methyl)amino]propanoate?
methyl 3-[formyl(methyl)amino]propanoate has a molecular weight of 145.16 g/mol, XLogP of -0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[formyl(methyl)amino]propanoate is sourced from PubChem (CID 19824068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).