1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate

C11H21NO3 — CID 81161403

IUPAC1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCOCC(C)OC(=O)CC1(CN)CCC1
InChIInChI=1S/C11H21NO3/c1-9(7-14-2)15-10(13)6-11(8-12)4-3-5-11/h9H,3-8,12H2,1-2H3
InChIKeyRGARMQADZGOKDD-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.08
Rot. Bonds6

About 1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate

1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate (PubChem CID 81161403) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate
PubChem CID81161403
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCOCC(C)OC(=O)CC1(CN)CCC1
InChIInChI=1S/C11H21NO3/c1-9(7-14-2)15-10(13)6-11(8-12)4-3-5-11/h9H,3-8,12H2,1-2H3
InChIKeyRGARMQADZGOKDD-UHFFFAOYSA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161222
1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451059
propyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161128
2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide
CID 81168508
1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one
CID 116599421
methyl 2-[1-(aminomethyl)-4,4-dimethylcycloheptyl]acetate
CID 66098922
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
3,3-dimethylbutyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81162022
methyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetate
CID 66098304
2-O,3-O-bis(1-methoxypropan-2-yl) 1-O,4-O-dimethyl butane-1,2,3,4-tetracarboxylate
CID 58177628
bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate
CID 131978337
cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81162285

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate?
The IUPAC name of 1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate (CID 81161403) is 1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate.
What is the SMILES notation for 1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate?
The canonical SMILES for 1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate is COCC(C)OC(=O)CC1(CN)CCC1.
What is the InChIKey of 1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate?
The InChIKey is RGARMQADZGOKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(7-14-2)15-10(13)6-11(8-12)4-3-5-11/h9H,3-8,12H2,1-2H3.
What are the key properties of 1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate?
1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate has a molecular weight of 215.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate is sourced from PubChem (CID 81161403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).