ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate

C11H23NO3 — CID 115665703

IUPACethyl 2-[3-hydroxybutyl(methyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(C)CCC(C)O
InChIInChI=1S/C11H23NO3/c1-5-10(11(14)15-6-2)12(4)8-7-9(3)13/h9-10,13H,5-8H2,1-4H3
InChIKeyOTGSYEHJTUOBTF-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.03
Rot. Bonds7

About ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate

ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate (PubChem CID 115665703) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxybutyl(methyl)amino]butanoate
PubChem CID115665703
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 2-[3-hydroxybutyl(methyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(C)CCC(C)O
InChIInChI=1S/C11H23NO3/c1-5-10(11(14)15-6-2)12(4)8-7-9(3)13/h9-10,13H,5-8H2,1-4H3
InChIKeyOTGSYEHJTUOBTF-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate
CID 64663599
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
ethyl 2-[methyl(propan-2-yl)amino]butanoate
CID 64660850
ethyl 2-[cyanomethyl(methyl)amino]butanoate
CID 64660730
ethyl 2-[ethyl(propan-2-yl)amino]butanoate
CID 64663080
ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate
CID 79974219
ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate
CID 83043139
ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63029828
2-[methyl(propyl)amino]butanamide
CID 62900463
ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate
CID 115665851
ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate
CID 63029192
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate
CID 103189712

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate?
The IUPAC name of ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate (CID 115665703) is ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate.
What is the SMILES notation for ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate?
The canonical SMILES for ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate is CCOC(=O)C(CC)N(C)CCC(C)O.
What is the InChIKey of ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate?
The InChIKey is OTGSYEHJTUOBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-10(11(14)15-6-2)12(4)8-7-9(3)13/h9-10,13H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate?
ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate has a molecular weight of 217.31 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate is sourced from PubChem (CID 115665703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).