ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate

C12H24N2O4 — CID 82770317

IUPACethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate
SMILESCCCN(CC(=O)NC)CC(O)CC(=O)OCC
InChIInChI=1S/C12H24N2O4/c1-4-6-14(9-11(16)13-3)8-10(15)7-12(17)18-5-2/h10,15H,4-9H2,1-3H3,(H,13,16)
InChIKeyMEVAMBMUMBNUDM-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.24
Rot. Bonds9

About ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate

ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate (PubChem CID 82770317) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate
PubChem CID82770317
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nameethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate
SMILESCCCN(CC(=O)NC)CC(O)CC(=O)OCC
InChIInChI=1S/C12H24N2O4/c1-4-6-14(9-11(16)13-3)8-10(15)7-12(17)18-5-2/h10,15H,4-9H2,1-3H3,(H,13,16)
InChIKeyMEVAMBMUMBNUDM-UHFFFAOYSA-N
XLogP-0.24
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate
CID 63932802
2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid
CID 65473819
ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate
CID 103102950
2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide
CID 63584441
3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 61066515
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
ethyl 2-[[3-[2-[[3-[bis(2-ethoxy-2-oxoethyl)amino]-2-hydroxypropoxy]methyl]-3-[3-(dipropylamino)-2-hydroxypropoxy]-2-[[3-(dipropylamino)-2-hydroxypropoxy]methyl]propoxy]-2-hydroxypropyl]-(2-ethoxy-2-oxoethyl)amino]acetate
CID 58436351
ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate
CID 60659458
ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate
CID 82778622
2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide
CID 110900504
ethyl 3,3-dimethyl-2-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]butanoate
CID 116537910
N-methyl-2-[3-oxobutyl(propyl)amino]acetamide
CID 62036736

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate (CID 82770317) is ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate is CCCN(CC(=O)NC)CC(O)CC(=O)OCC.
What is the InChIKey of ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate?
The InChIKey is MEVAMBMUMBNUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-4-6-14(9-11(16)13-3)8-10(15)7-12(17)18-5-2/h10,15H,4-9H2,1-3H3,(H,13,16).
What are the key properties of ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate?
ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate has a molecular weight of 260.33 g/mol, XLogP of -0.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate is sourced from PubChem (CID 82770317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).