3-methyliminopropyl 2-aminoacetate

C6H12N2O2 — CID 126663277

IUPAC3-methyliminopropyl 2-aminoacetate
SMILESC/N=C/CCOC(=O)CN
InChIInChI=1S/C6H12N2O2/c1-8-3-2-4-10-6(9)5-7/h3H,2,4-5,7H2,1H3/b8-3+
InChIKeyHNUVBXXBPNXUPA-FPYGCLRLSA-N
MW144.17 g/mol
LogP-0.42
Rot. Bonds4

About 3-methyliminopropyl 2-aminoacetate

3-methyliminopropyl 2-aminoacetate (PubChem CID 126663277) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-methyliminopropyl 2-aminoacetate.

Molecular Properties

Compound Name3-methyliminopropyl 2-aminoacetate
PubChem CID126663277
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-methyliminopropyl 2-aminoacetate
SMILESC/N=C/CCOC(=O)CN
InChIInChI=1S/C6H12N2O2/c1-8-3-2-4-10-6(9)5-7/h3H,2,4-5,7H2,1H3/b8-3+
InChIKeyHNUVBXXBPNXUPA-FPYGCLRLSA-N
XLogP-0.42
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyliminopropyl 2-aminoacetate?
The IUPAC name of 3-methyliminopropyl 2-aminoacetate (CID 126663277) is 3-methyliminopropyl 2-aminoacetate.
What is the SMILES notation for 3-methyliminopropyl 2-aminoacetate?
The canonical SMILES for 3-methyliminopropyl 2-aminoacetate is C/N=C/CCOC(=O)CN.
What is the InChIKey of 3-methyliminopropyl 2-aminoacetate?
The InChIKey is HNUVBXXBPNXUPA-FPYGCLRLSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8-3-2-4-10-6(9)5-7/h3H,2,4-5,7H2,1H3/b8-3+.
What are the key properties of 3-methyliminopropyl 2-aminoacetate?
3-methyliminopropyl 2-aminoacetate has a molecular weight of 144.17 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyliminopropyl 2-aminoacetate is sourced from PubChem (CID 126663277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).