ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate

C11H24N2O3 — CID 103235946

IUPACethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNCCCN(C)C
InChIInChI=1S/C11H24N2O3/c1-4-16-11(15)8-10(14)9-12-6-5-7-13(2)3/h10,12,14H,4-9H2,1-3H3
InChIKeyPVQZZQSSGUWNTK-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.16
Rot. Bonds9

About ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate

ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate (PubChem CID 103235946) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate
PubChem CID103235946
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Nameethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNCCCN(C)C
InChIInChI=1S/C11H24N2O3/c1-4-16-11(15)8-10(14)9-12-6-5-7-13(2)3/h10,12,14H,4-9H2,1-3H3
InChIKeyPVQZZQSSGUWNTK-UHFFFAOYSA-N
XLogP-0.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.16
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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Related Compounds

ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
ethyl 3-hydroxy-4-(3-pyrrolidin-1-ylpropylamino)butanoate
CID 103250625
ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate
CID 103239817
methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate
CID 93035176
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
CID 103235295
ethyl 3-[4-(dimethylamino)butylamino]-3-oxopropanoate
CID 110465406
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112
ethyl 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-hydroxybutanoate
CID 103266908
ethyl 3-hydroxy-4-(2-methylsulfanylpropylamino)butanoate
CID 103265433
ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate
CID 103246903
ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate
CID 82778622
ethyl 3-hydroxy-4-(2-methylsulfinylpropylamino)butanoate
CID 103265700

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate?
The IUPAC name of ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate (CID 103235946) is ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate is CCOC(=O)CC(O)CNCCCN(C)C.
What is the InChIKey of ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate?
The InChIKey is PVQZZQSSGUWNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-4-16-11(15)8-10(14)9-12-6-5-7-13(2)3/h10,12,14H,4-9H2,1-3H3.
What are the key properties of ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate?
ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate has a molecular weight of 232.32 g/mol, XLogP of -0.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate is sourced from PubChem (CID 103235946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).