ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate

C11H21NO4 — CID 115770889

IUPACethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC(C)C(C)CO
InChIInChI=1S/C11H21NO4/c1-4-16-11(15)6-5-10(14)12-9(3)8(2)7-13/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyWZWSDUXYOSGEFX-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.46
Rot. Bonds7

About ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate

ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate (PubChem CID 115770889) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate
PubChem CID115770889
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC(C)C(C)CO
InChIInChI=1S/C11H21NO4/c1-4-16-11(15)6-5-10(14)12-9(3)8(2)7-13/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyWZWSDUXYOSGEFX-UHFFFAOYSA-N
XLogP0.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate
CID 60712403
ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate
CID 79030775
ethyl 4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoate
CID 60698765
2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid
CID 61242771
2-[(4-ethoxy-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 43467592
N-(4-hydroxy-3-methylbutan-2-yl)-3-methylpentanamide
CID 114875462
ethyl 3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanoate
CID 62625377
ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate
CID 171990037
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoate
CID 60660991
ethyl 4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-4-oxobutanoate
CID 81356588
N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide
CID 115770978

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate (CID 115770889) is ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NC(C)C(C)CO.
What is the InChIKey of ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate?
The InChIKey is WZWSDUXYOSGEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-16-11(15)6-5-10(14)12-9(3)8(2)7-13/h8-9,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate?
ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate has a molecular weight of 231.29 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 115770889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).