methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate

C8H15NO2 — CID 146204019

IUPACmethyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate
SMILESCOC(=O)C1(C)CC(C)(N)C1
InChIInChI=1S/C8H15NO2/c1-7(6(10)11-3)4-8(2,9)5-7/h4-5,9H2,1-3H3
InChIKeyNQFBNQKIPQEDJD-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.68
Rot. Bonds1

About methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate

methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate (PubChem CID 146204019) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate
PubChem CID146204019
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate
SMILESCOC(=O)C1(C)CC(C)(N)C1
InChIInChI=1S/C8H15NO2/c1-7(6(10)11-3)4-8(2,9)5-7/h4-5,9H2,1-3H3
InChIKeyNQFBNQKIPQEDJD-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 1,2,2-trimethylcyclopropane-1-carboxylate
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methane;methyl 3-methyloxetane-3-carboxylate
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methyl 1,3,3-trimethyl-5-oxocyclohexane-1-carboxylate
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methyl 4-aminopiperidine-4-carboxylate
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dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate
CID 91799029
methyl 4-iodo-1-methylcyclohexane-1-carboxylate
CID 121364070
methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate
CID 167715905
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate?
The IUPAC name of methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate (CID 146204019) is methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate is COC(=O)C1(C)CC(C)(N)C1.
What is the InChIKey of methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate?
The InChIKey is NQFBNQKIPQEDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(6(10)11-3)4-8(2,9)5-7/h4-5,9H2,1-3H3.
What are the key properties of methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate?
methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate is sourced from PubChem (CID 146204019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).