ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate

C11H21NO4 — CID 168971540

IUPACethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate
SMILESCCOC(=O)C(C(C)C)N(C)C(=O)CCO
InChIInChI=1S/C11H21NO4/c1-5-16-11(15)10(8(2)3)12(4)9(14)6-7-13/h8,10,13H,5-7H2,1-4H3
InChIKeyVHLLWIVVNHAUHY-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.41
Rot. Bonds6

About ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate

ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate (PubChem CID 168971540) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate
PubChem CID168971540
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate
SMILESCCOC(=O)C(C(C)C)N(C)C(=O)CCO
InChIInChI=1S/C11H21NO4/c1-5-16-11(15)10(8(2)3)12(4)9(14)6-7-13/h8,10,13H,5-7H2,1-4H3
InChIKeyVHLLWIVVNHAUHY-UHFFFAOYSA-N
XLogP0.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate
CID 168971565
ethyl 2-[carbonochloridoyl(methyl)amino]-3-methylbutanoate
CID 134323288
ethyl (2S)-2-[carbonochloridoyl(methyl)amino]-3-methylbutanoate
CID 134323287
diethyl 2,3-bis(dimethylamino)butanedioate
CID 13493507
ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]-methylamino]-3-methylbutanoate
CID 23263814
ethyl 2-[ethoxycarbonyl(methyl)amino]-3-methylpentanoate
CID 155456106
heptyl 2-[[2-[ethoxycarbonyl(methyl)amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoate
CID 91723049
pentyl 2-[butoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91729931
triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate
CID 134927138
ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate
CID 102538605
diethyl 2-methylpropanedioate;zirconium
CID 174876844
2-ethylhexyl 2-[2-ethylhexoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91737930

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate?
The IUPAC name of ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate (CID 168971540) is ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate.
What is the SMILES notation for ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate?
The canonical SMILES for ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate is CCOC(=O)C(C(C)C)N(C)C(=O)CCO.
What is the InChIKey of ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate?
The InChIKey is VHLLWIVVNHAUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-16-11(15)10(8(2)3)12(4)9(14)6-7-13/h8,10,13H,5-7H2,1-4H3.
What are the key properties of ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate?
ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate has a molecular weight of 231.29 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate is sourced from PubChem (CID 168971540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).