ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate

C11H21NO3 — CID 60712403

IUPACethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC(C)C(C)C
InChIInChI=1S/C11H21NO3/c1-5-15-11(14)7-6-10(13)12-9(4)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyOZLGOJDRVZMCCC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.49
Rot. Bonds6

About ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate

ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate (PubChem CID 60712403) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate
PubChem CID60712403
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC(C)C(C)C
InChIInChI=1S/C11H21NO3/c1-5-15-11(14)7-6-10(13)12-9(4)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyOZLGOJDRVZMCCC-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate
CID 115770889
ethyl 4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoate
CID 60698765
ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate
CID 79030775
2-[(4-ethoxy-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 43467592
ethyl (3R)-3-(butanoylamino)-4-methylpentanoate
CID 102302423
ethyl 3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanoate
CID 62625377
2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid
CID 61242771
ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate
CID 171990037
4-O-(2,4-dimethylpentan-3-yl) 1-O-ethyl butanedioate
CID 91713409
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-4-oxobutanoate
CID 81356588
ethyl 4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoate
CID 60660991

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate?
The IUPAC name of ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate (CID 60712403) is ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate?
The canonical SMILES for ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate is CCOC(=O)CCC(=O)NC(C)C(C)C.
What is the InChIKey of ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate?
The InChIKey is OZLGOJDRVZMCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-15-11(14)7-6-10(13)12-9(4)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate?
ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate has a molecular weight of 215.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate is sourced from PubChem (CID 60712403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).