4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid

C11H24N2O3 — CID 82769678

IUPAC4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid
SMILESCCCN(CCN(C)C)CC(O)CC(=O)O
InChIInChI=1S/C11H24N2O3/c1-4-5-13(7-6-12(2)3)9-10(14)8-11(15)16/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyOUJBJSYJDLWXMH-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.10
Rot. Bonds9

About 4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid

4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid (PubChem CID 82769678) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid
PubChem CID82769678
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid
SMILESCCCN(CCN(C)C)CC(O)CC(=O)O
InChIInChI=1S/C11H24N2O3/c1-4-5-13(7-6-12(2)3)9-10(14)8-11(15)16/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyOUJBJSYJDLWXMH-UHFFFAOYSA-N
XLogP0.10
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid (CID 82769678) is 4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid is CCCN(CCN(C)C)CC(O)CC(=O)O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid?
The InChIKey is OUJBJSYJDLWXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-4-5-13(7-6-12(2)3)9-10(14)8-11(15)16/h10,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid?
4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid has a molecular weight of 232.32 g/mol, XLogP of 0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 82769678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).