ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate

C11H23NO3 — CID 79250594

IUPACethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate
SMILESCCOC(=O)CC(C)NC(CO)C(C)C
InChIInChI=1S/C11H23NO3/c1-5-15-11(14)6-9(4)12-10(7-13)8(2)3/h8-10,12-13H,5-7H2,1-4H3
InChIKeyULYZYVKTDBKWHX-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.93
Rot. Bonds7

About ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate

ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate (PubChem CID 79250594) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate
PubChem CID79250594
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate
SMILESCCOC(=O)CC(C)NC(CO)C(C)C
InChIInChI=1S/C11H23NO3/c1-5-15-11(14)6-9(4)12-10(7-13)8(2)3/h8-10,12-13H,5-7H2,1-4H3
InChIKeyULYZYVKTDBKWHX-UHFFFAOYSA-N
XLogP0.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
CID 79249096
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
CID 79250354
ethyl 2-fluoro-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]butanoate
CID 103859840
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230
ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate
CID 102303294
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
ethyl 3-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81356889
4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid
CID 79254254
ethyl (3R)-3-(butanoylamino)-4-methylpentanoate
CID 102302423
ethyl 3-tert-butyl-4,4-dimethylpentanoate
CID 22372628

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate?
The IUPAC name of ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate (CID 79250594) is ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate?
The canonical SMILES for ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate is CCOC(=O)CC(C)NC(CO)C(C)C.
What is the InChIKey of ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate?
The InChIKey is ULYZYVKTDBKWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-15-11(14)6-9(4)12-10(7-13)8(2)3/h8-10,12-13H,5-7H2,1-4H3.
What are the key properties of ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate?
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate has a molecular weight of 217.31 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate is sourced from PubChem (CID 79250594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).