2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid)

C14H27NO6 — CID 23026238

IUPAC2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCC(CO)NCCO
InChIInChI=1S/C6H15NO2.2C4H6O2/c1-2-6(5-9)7-3-4-8;2*1-3(2)4(5)6/h6-9H,2-5H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyBLJQGIHYGAQHTE-UHFFFAOYSA-N
MW305.37 g/mol
LogP0.63
Rot. Bonds7

About 2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid)

2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid) (PubChem CID 23026238) has the molecular formula C14H27NO6 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid)
PubChem CID23026238
Molecular FormulaC14H27NO6
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Name2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCC(CO)NCCO
InChIInChI=1S/C6H15NO2.2C4H6O2/c1-2-6(5-9)7-3-4-8;2*1-3(2)4(5)6/h6-9H,2-5H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyBLJQGIHYGAQHTE-UHFFFAOYSA-N
XLogP0.63
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 50.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid) (CID 23026238) is 2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.CCC(CO)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid)?
The InChIKey is BLJQGIHYGAQHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.2C4H6O2/c1-2-6(5-9)7-3-4-8;2*1-3(2)4(5)6/h6-9H,2-5H2,1H3;2*1H2,2H3,(H,5,6).
What are the key properties of 2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid)?
2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid) has a molecular weight of 305.37 g/mol, XLogP of 0.63, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 23026238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).