1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate

C11H23NO3 — CID 103488952

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

About 1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate

1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate (PubChem CID 103488952) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate
PubChem CID103488952
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate
SMILESCCOCC(C)OC(=O)CC(CC)CN
InChIInChI=1S/C11H23NO3/c1-4-10(7-12)6-11(13)15-9(3)8-14-5-2/h9-10H,4-8,12H2,1-3H3
InChIKeyOJEIPOAEIFVVBS-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-amino-4-methylpentanoate
CID 103488924
1-ethoxypropan-2-yl 5-aminopentanoate
CID 103489040
2-(2-methylpropoxy)ethyl 3-(aminomethyl)pentanoate
CID 106447989
methyl 3-(aminomethyl)pentanoate
CID 66099134
1-ethoxypropan-2-yl 2-(methylamino)acetate
CID 103489136
1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate
CID 87696301
[(2S)-1-ethoxypropan-2-yl] carbonochloridate
CID 124681021
2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate
CID 58301431
dibutan-2-yl 3-ethylhexanedioate
CID 593762
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
CID 81071498
1-ethoxypropan-2-yl 2-(cyclopropylamino)acetate
CID 103488994
1-ethoxypropan-2-yl acetate;2-ethoxypropyl acetate;methane
CID 161069991

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate?
The IUPAC name of 1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate (CID 103488952) is 1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate.
What is the SMILES notation for 1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate?
The canonical SMILES for 1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate is CCOCC(C)OC(=O)CC(CC)CN.
What is the InChIKey of 1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate?
The InChIKey is OJEIPOAEIFVVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-10(7-12)6-11(13)15-9(3)8-14-5-2/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate?
1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate 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 3-(aminomethyl)pentanoate is sourced from PubChem (CID 103488952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).