3-methoxypropyl 2-amino-3-hydroxybutanoate

C8H17NO4 — CID 61277179

IUPAC3-methoxypropyl 2-amino-3-hydroxybutanoate
SMILESCOCCCOC(=O)C(N)C(C)O
InChIInChI=1S/C8H17NO4/c1-6(10)7(9)8(11)13-5-3-4-12-2/h6-7,10H,3-5,9H2,1-2H3
InChIKeyYFUOAXULISZOQL-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.73
Rot. Bonds6

About 3-methoxypropyl 2-amino-3-hydroxybutanoate

3-methoxypropyl 2-amino-3-hydroxybutanoate (PubChem CID 61277179) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-methoxypropyl 2-amino-3-hydroxybutanoate.

Molecular Properties

Compound Name3-methoxypropyl 2-amino-3-hydroxybutanoate
PubChem CID61277179
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name3-methoxypropyl 2-amino-3-hydroxybutanoate
SMILESCOCCCOC(=O)C(N)C(C)O
InChIInChI=1S/C8H17NO4/c1-6(10)7(9)8(11)13-5-3-4-12-2/h6-7,10H,3-5,9H2,1-2H3
InChIKeyYFUOAXULISZOQL-UHFFFAOYSA-N
XLogP-0.73
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-methoxypropyl 2-amino-3-hydroxybutanoate?
The IUPAC name of 3-methoxypropyl 2-amino-3-hydroxybutanoate (CID 61277179) is 3-methoxypropyl 2-amino-3-hydroxybutanoate.
What is the SMILES notation for 3-methoxypropyl 2-amino-3-hydroxybutanoate?
The canonical SMILES for 3-methoxypropyl 2-amino-3-hydroxybutanoate is COCCCOC(=O)C(N)C(C)O.
What is the InChIKey of 3-methoxypropyl 2-amino-3-hydroxybutanoate?
The InChIKey is YFUOAXULISZOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-6(10)7(9)8(11)13-5-3-4-12-2/h6-7,10H,3-5,9H2,1-2H3.
What are the key properties of 3-methoxypropyl 2-amino-3-hydroxybutanoate?
3-methoxypropyl 2-amino-3-hydroxybutanoate has a molecular weight of 191.23 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 2-amino-3-hydroxybutanoate is sourced from PubChem (CID 61277179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).