methyl 3-(3-hydroxypropylamino)propanoate

C7H15NO3 — CID 10534984

IUPACmethyl 3-(3-hydroxypropylamino)propanoate
SMILESCOC(=O)CCNCCCO
InChIInChI=1S/C7H15NO3/c1-11-7(10)3-5-8-4-2-6-9/h8-9H,2-6H2,1H3
InChIKeyWEQOWUJRHBLTHI-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.48
Rot. Bonds6

About methyl 3-(3-hydroxypropylamino)propanoate

methyl 3-(3-hydroxypropylamino)propanoate (PubChem CID 10534984) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl 3-(3-hydroxypropylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-hydroxypropylamino)propanoate
PubChem CID10534984
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl 3-(3-hydroxypropylamino)propanoate
SMILESCOC(=O)CCNCCCO
InChIInChI=1S/C7H15NO3/c1-11-7(10)3-5-8-4-2-6-9/h8-9H,2-6H2,1H3
InChIKeyWEQOWUJRHBLTHI-UHFFFAOYSA-N
XLogP-0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
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 3-(3-hydroxypropylamino)propanoate?
The IUPAC name of methyl 3-(3-hydroxypropylamino)propanoate (CID 10534984) is methyl 3-(3-hydroxypropylamino)propanoate.
What is the SMILES notation for methyl 3-(3-hydroxypropylamino)propanoate?
The canonical SMILES for methyl 3-(3-hydroxypropylamino)propanoate is COC(=O)CCNCCCO.
What is the InChIKey of methyl 3-(3-hydroxypropylamino)propanoate?
The InChIKey is WEQOWUJRHBLTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-11-7(10)3-5-8-4-2-6-9/h8-9H,2-6H2,1H3.
What are the key properties of methyl 3-(3-hydroxypropylamino)propanoate?
methyl 3-(3-hydroxypropylamino)propanoate has a molecular weight of 161.20 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxypropylamino)propanoate is sourced from PubChem (CID 10534984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).