methyl 2-(3-aminopropoxy)acetate

C6H13NO3 — CID 15666028

IUPACmethyl 2-(3-aminopropoxy)acetate
SMILESCOC(=O)COCCCN
InChIInChI=1S/C6H13NO3/c1-9-6(8)5-10-4-2-3-7/h2-5,7H2,1H3
InChIKeyGDGJEXKEWYMVIH-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.48
Rot. Bonds5

About methyl 2-(3-aminopropoxy)acetate

methyl 2-(3-aminopropoxy)acetate (PubChem CID 15666028) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl 2-(3-aminopropoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(3-aminopropoxy)acetate
PubChem CID15666028
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl 2-(3-aminopropoxy)acetate
SMILESCOC(=O)COCCCN
InChIInChI=1S/C6H13NO3/c1-9-6(8)5-10-4-2-3-7/h2-5,7H2,1H3
InChIKeyGDGJEXKEWYMVIH-UHFFFAOYSA-N
XLogP-0.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminopropoxy)acetate?
The IUPAC name of methyl 2-(3-aminopropoxy)acetate (CID 15666028) is methyl 2-(3-aminopropoxy)acetate.
What is the SMILES notation for methyl 2-(3-aminopropoxy)acetate?
The canonical SMILES for methyl 2-(3-aminopropoxy)acetate is COC(=O)COCCCN.
What is the InChIKey of methyl 2-(3-aminopropoxy)acetate?
The InChIKey is GDGJEXKEWYMVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-9-6(8)5-10-4-2-3-7/h2-5,7H2,1H3.
What are the key properties of methyl 2-(3-aminopropoxy)acetate?
methyl 2-(3-aminopropoxy)acetate has a molecular weight of 147.17 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminopropoxy)acetate is sourced from PubChem (CID 15666028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).