ethyl 6-amino-3,4-dimethyl-6-oxohexanoate

C10H19NO3 — CID 59188853

IUPACethyl 6-amino-3,4-dimethyl-6-oxohexanoate
SMILESCCOC(=O)CC(C)C(C)CC(N)=O
InChIInChI=1S/C10H19NO3/c1-4-14-10(13)6-8(3)7(2)5-9(11)12/h7-8H,4-6H2,1-3H3,(H2,11,12)
InChIKeyZPUAKFMKXHXKCN-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.09
Rot. Bonds6

About ethyl 6-amino-3,4-dimethyl-6-oxohexanoate

ethyl 6-amino-3,4-dimethyl-6-oxohexanoate (PubChem CID 59188853) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 6-amino-3,4-dimethyl-6-oxohexanoate.

Molecular Properties

Compound Nameethyl 6-amino-3,4-dimethyl-6-oxohexanoate
PubChem CID59188853
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 6-amino-3,4-dimethyl-6-oxohexanoate
SMILESCCOC(=O)CC(C)C(C)CC(N)=O
InChIInChI=1S/C10H19NO3/c1-4-14-10(13)6-8(3)7(2)5-9(11)12/h7-8H,4-6H2,1-3H3,(H2,11,12)
InChIKeyZPUAKFMKXHXKCN-UHFFFAOYSA-N
XLogP1.09
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(dimethylamino)butanoate
CID 3020377
ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate
CID 62922968
ethyl (3R)-3-methylpentanoate
CID 7567160
diethyl 2-ethyl-3-methylpentanedioate
CID 13403909
ethyl 3-carbamoyloxybutanoate
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4-hydroxy-3-methylpentanamide
CID 21402958
ethyl (3R)-3-methyl-4-oxopentanoate
CID 14870757
ethyl (4S)-3,4-dihydroxypentanoate
CID 156690497
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl 4-amino-4-hydroxyimino-3-methylbutanoate
CID 173470343
ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate
CID 66432765
ethyl (3S,4R)-5-[di(propan-2-yl)amino]-3,4-dimethyl-5-oxopentanoate
CID 134905505

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-3,4-dimethyl-6-oxohexanoate?
The IUPAC name of ethyl 6-amino-3,4-dimethyl-6-oxohexanoate (CID 59188853) is ethyl 6-amino-3,4-dimethyl-6-oxohexanoate.
What is the SMILES notation for ethyl 6-amino-3,4-dimethyl-6-oxohexanoate?
The canonical SMILES for ethyl 6-amino-3,4-dimethyl-6-oxohexanoate is CCOC(=O)CC(C)C(C)CC(N)=O.
What is the InChIKey of ethyl 6-amino-3,4-dimethyl-6-oxohexanoate?
The InChIKey is ZPUAKFMKXHXKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-14-10(13)6-8(3)7(2)5-9(11)12/h7-8H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of ethyl 6-amino-3,4-dimethyl-6-oxohexanoate?
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate has a molecular weight of 201.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-3,4-dimethyl-6-oxohexanoate is sourced from PubChem (CID 59188853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).