3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol

C10H23NO5 — CID 114358390

IUPAC3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
SMILESCOCCOCCOC(CO)C(N)COC
InChIInChI=1S/C10H23NO5/c1-13-3-4-15-5-6-16-10(7-12)9(11)8-14-2/h9-10,12H,3-8,11H2,1-2H3
InChIKeyGGSRBOINHHAERR-UHFFFAOYSA-N
MW237.30 g/mol
LogP-1.00
Rot. Bonds11

About 3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol

3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol (PubChem CID 114358390) has the molecular formula C10H23NO5 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
PubChem CID114358390
Molecular FormulaC10H23NO5
Molecular Weight237.30 g/mol
Exact Mass237.16
IUPAC Name3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
SMILESCOCCOCCOC(CO)C(N)COC
InChIInChI=1S/C10H23NO5/c1-13-3-4-15-5-6-16-10(7-12)9(11)8-14-2/h9-10,12H,3-8,11H2,1-2H3
InChIKeyGGSRBOINHHAERR-UHFFFAOYSA-N
XLogP-1.00
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol (CID 114358390) is 3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol is COCCOCCOC(CO)C(N)COC.
What is the InChIKey of 3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
The InChIKey is GGSRBOINHHAERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO5/c1-13-3-4-15-5-6-16-10(7-12)9(11)8-14-2/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol has a molecular weight of 237.30 g/mol, XLogP of -1.00, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol is sourced from PubChem (CID 114358390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).