1-ethoxypropan-2-yl 5-amino-4-methylpentanoate

C11H23NO3 — CID 103488924

IUPAC1-ethoxypropan-2-yl 5-amino-4-methylpentanoate
SMILESCCOCC(C)OC(=O)CCC(C)CN
InChIInChI=1S/C11H23NO3/c1-4-14-8-10(3)15-11(13)6-5-9(2)7-12/h9-10H,4-8,12H2,1-3H3
InChIKeyVBTBDSNXDXSLDF-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.33
Rot. Bonds8

About 1-ethoxypropan-2-yl 5-amino-4-methylpentanoate

1-ethoxypropan-2-yl 5-amino-4-methylpentanoate (PubChem CID 103488924) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 5-amino-4-methylpentanoate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 5-amino-4-methylpentanoate
PubChem CID103488924
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-ethoxypropan-2-yl 5-amino-4-methylpentanoate
SMILESCCOCC(C)OC(=O)CCC(C)CN
InChIInChI=1S/C11H23NO3/c1-4-14-8-10(3)15-11(13)6-5-9(2)7-12/h9-10H,4-8,12H2,1-3H3
InChIKeyVBTBDSNXDXSLDF-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxypropan-2-yl 5-aminopentanoate
CID 103489040
1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate
CID 103488952
1-ethoxypropan-2-yl 2-(methylamino)acetate
CID 103489136
butan-2-yl 4-methylhexanoate
CID 137387388
1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate
CID 87696301
1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate
CID 103489110
3-ethoxy-2-methylpropan-1-amine
CID 43175050
[(2S)-1-ethoxypropan-2-yl] carbonochloridate
CID 124681021
1-ethoxypropan-2-yl 2-(cyclopropylamino)acetate
CID 103488994
1-ethoxypropan-2-yl 2-amino-2-methylpentanoate
CID 103489152
ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011532
1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate
CID 103489051

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 5-amino-4-methylpentanoate?
The IUPAC name of 1-ethoxypropan-2-yl 5-amino-4-methylpentanoate (CID 103488924) is 1-ethoxypropan-2-yl 5-amino-4-methylpentanoate.
What is the SMILES notation for 1-ethoxypropan-2-yl 5-amino-4-methylpentanoate?
The canonical SMILES for 1-ethoxypropan-2-yl 5-amino-4-methylpentanoate is CCOCC(C)OC(=O)CCC(C)CN.
What is the InChIKey of 1-ethoxypropan-2-yl 5-amino-4-methylpentanoate?
The InChIKey is VBTBDSNXDXSLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-14-8-10(3)15-11(13)6-5-9(2)7-12/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 1-ethoxypropan-2-yl 5-amino-4-methylpentanoate?
1-ethoxypropan-2-yl 5-amino-4-methylpentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 5-amino-4-methylpentanoate is sourced from PubChem (CID 103488924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).