methyl 3-(propylamino)propanoate

C7H15NO2 — CID 10630640

IUPACmethyl 3-(propylamino)propanoate
SMILESCCCNCCC(=O)OC
InChIInChI=1S/C7H15NO2/c1-3-5-8-6-4-7(9)10-2/h8H,3-6H2,1-2H3
InChIKeyGDEQTSGNHQHPLZ-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds5

About methyl 3-(propylamino)propanoate

methyl 3-(propylamino)propanoate (PubChem CID 10630640) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 3-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(propylamino)propanoate
PubChem CID10630640
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 3-(propylamino)propanoate
SMILESCCCNCCC(=O)OC
InChIInChI=1S/C7H15NO2/c1-3-5-8-6-4-7(9)10-2/h8H,3-6H2,1-2H3
InChIKeyGDEQTSGNHQHPLZ-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(propylamino)propanoate?
The IUPAC name of methyl 3-(propylamino)propanoate (CID 10630640) is methyl 3-(propylamino)propanoate.
What is the SMILES notation for methyl 3-(propylamino)propanoate?
The canonical SMILES for methyl 3-(propylamino)propanoate is CCCNCCC(=O)OC.
What is the InChIKey of methyl 3-(propylamino)propanoate?
The InChIKey is GDEQTSGNHQHPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-5-8-6-4-7(9)10-2/h8H,3-6H2,1-2H3.
What are the key properties of methyl 3-(propylamino)propanoate?
methyl 3-(propylamino)propanoate has a molecular weight of 145.20 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(propylamino)propanoate is sourced from PubChem (CID 10630640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).