2-hydroxyethyl 3-methyliminopropanoate

C6H11NO3 — CID 58059266

IUPAC2-hydroxyethyl 3-methyliminopropanoate
SMILESC/N=C/CC(=O)OCCO
InChIInChI=1S/C6H11NO3/c1-7-3-2-6(9)10-5-4-8/h3,8H,2,4-5H2,1H3/b7-3+
InChIKeyIEGDMZXXTJVGSD-XVNBXDOJSA-N
MW145.16 g/mol
LogP-0.39
Rot. Bonds4

About 2-hydroxyethyl 3-methyliminopropanoate

2-hydroxyethyl 3-methyliminopropanoate (PubChem CID 58059266) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-hydroxyethyl 3-methyliminopropanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-methyliminopropanoate
PubChem CID58059266
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-hydroxyethyl 3-methyliminopropanoate
SMILESC/N=C/CC(=O)OCCO
InChIInChI=1S/C6H11NO3/c1-7-3-2-6(9)10-5-4-8/h3,8H,2,4-5H2,1H3/b7-3+
InChIKeyIEGDMZXXTJVGSD-XVNBXDOJSA-N
XLogP-0.39
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-methyliminopropanoate?
The IUPAC name of 2-hydroxyethyl 3-methyliminopropanoate (CID 58059266) is 2-hydroxyethyl 3-methyliminopropanoate.
What is the SMILES notation for 2-hydroxyethyl 3-methyliminopropanoate?
The canonical SMILES for 2-hydroxyethyl 3-methyliminopropanoate is C/N=C/CC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 3-methyliminopropanoate?
The InChIKey is IEGDMZXXTJVGSD-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7-3-2-6(9)10-5-4-8/h3,8H,2,4-5H2,1H3/b7-3+.
What are the key properties of 2-hydroxyethyl 3-methyliminopropanoate?
2-hydroxyethyl 3-methyliminopropanoate has a molecular weight of 145.16 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-methyliminopropanoate is sourced from PubChem (CID 58059266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).