methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate

C11H19NO2 — CID 166774672

IUPACmethyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate
SMILESCOC(=O)CCC1(C2(N)CC2)CCC1
InChIInChI=1S/C11H19NO2/c1-14-9(13)3-6-10(4-2-5-10)11(12)7-8-11/h2-8,12H2,1H3
InChIKeyKITYRIWPLVGOEU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.60
Rot. Bonds4

About methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate

methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate (PubChem CID 166774672) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate
PubChem CID166774672
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate
SMILESCOC(=O)CCC1(C2(N)CC2)CCC1
InChIInChI=1S/C11H19NO2/c1-14-9(13)3-6-10(4-2-5-10)11(12)7-8-11/h2-8,12H2,1H3
InChIKeyKITYRIWPLVGOEU-UHFFFAOYSA-N
XLogP1.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[1-(sulfanylmethyl)cyclopropyl]propanoate
CID 87946009
3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid
CID 69312461
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 3-(1-hydroxycyclobutyl)propanoate
CID 66323401
methyl 3-(3-prop-2-enylpiperidin-3-yl)propanoate
CID 123836616
methyl 3-(1-bromo-3,3-dimethyl-2-oxocyclohexyl)propanoate
CID 71398473
methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate
CID 81172837
2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786524
methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride
CID 119291127
methyl 8-(1-heptylcyclohexyl)octanoate
CID 118260042
ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate
CID 174738160
4-O-ethyl 1-O-methyl butanedioate
CID 522068

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate?
The IUPAC name of methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate (CID 166774672) is methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate.
What is the SMILES notation for methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate?
The canonical SMILES for methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate is COC(=O)CCC1(C2(N)CC2)CCC1.
What is the InChIKey of methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate?
The InChIKey is KITYRIWPLVGOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-14-9(13)3-6-10(4-2-5-10)11(12)7-8-11/h2-8,12H2,1H3.
What are the key properties of methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate?
methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate has a molecular weight of 197.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate is sourced from PubChem (CID 166774672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).