ethyl 4-amino-3-hydroxy-5-methylhexanoate

C9H19NO3 — CID 11424041

IUPACethyl 4-amino-3-hydroxy-5-methylhexanoate
SMILESCCOC(=O)CC(O)C(N)C(C)C
InChIInChI=1S/C9H19NO3/c1-4-13-8(12)5-7(11)9(10)6(2)3/h6-7,9,11H,4-5,10H2,1-3H3
InChIKeyHKSNCXUOIXSPLS-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.28
Rot. Bonds5

About ethyl 4-amino-3-hydroxy-5-methylhexanoate

ethyl 4-amino-3-hydroxy-5-methylhexanoate (PubChem CID 11424041) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethyl 4-amino-3-hydroxy-5-methylhexanoate.

Molecular Properties

Compound Nameethyl 4-amino-3-hydroxy-5-methylhexanoate
PubChem CID11424041
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethyl 4-amino-3-hydroxy-5-methylhexanoate
SMILESCCOC(=O)CC(O)C(N)C(C)C
InChIInChI=1S/C9H19NO3/c1-4-13-8(12)5-7(11)9(10)6(2)3/h6-7,9,11H,4-5,10H2,1-3H3
InChIKeyHKSNCXUOIXSPLS-UHFFFAOYSA-N
XLogP0.28
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4S)-3,4-dihydroxypentanoate
CID 156690497
diethyl 3-hydroxy-2-methylpentanedioate
CID 22022909
ethyl (3R,4S)-3-chloro-4-hydroxypentanoate
CID 15936348
ethyl (3R)-3-methylpentanoate
CID 7567160
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
2-(2-amino-3-methylbutanoyl)oxy-4-ethoxy-4-oxobutanoic acid
CID 22035618
ethyl (3R)-3-methyl-4-oxopentanoate
CID 14870757
ethyl 3-(dimethylamino)butanoate
CID 3020377
ethyl 3-tert-butyl-4,4-dimethylpentanoate
CID 22372628
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
diethyl 2,2,3-trimethylpentanedioate
CID 13244610
ethyl (3R)-3-chlorosulfonylbutanoate
CID 124537429

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-hydroxy-5-methylhexanoate?
The IUPAC name of ethyl 4-amino-3-hydroxy-5-methylhexanoate (CID 11424041) is ethyl 4-amino-3-hydroxy-5-methylhexanoate.
What is the SMILES notation for ethyl 4-amino-3-hydroxy-5-methylhexanoate?
The canonical SMILES for ethyl 4-amino-3-hydroxy-5-methylhexanoate is CCOC(=O)CC(O)C(N)C(C)C.
What is the InChIKey of ethyl 4-amino-3-hydroxy-5-methylhexanoate?
The InChIKey is HKSNCXUOIXSPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-13-8(12)5-7(11)9(10)6(2)3/h6-7,9,11H,4-5,10H2,1-3H3.
What are the key properties of ethyl 4-amino-3-hydroxy-5-methylhexanoate?
ethyl 4-amino-3-hydroxy-5-methylhexanoate has a molecular weight of 189.25 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-hydroxy-5-methylhexanoate is sourced from PubChem (CID 11424041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).