methyl 3-(aminomethyl)cyclobutane-1-carboxylate

C7H13NO2 — CID 86222901

IUPACmethyl 3-(aminomethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(CN)C1
InChIInChI=1S/C7H13NO2/c1-10-7(9)6-2-5(3-6)4-8/h5-6H,2-4,8H2,1H3
InChIKeyNEPQUZNQTHTYJM-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.14
Rot. Bonds2

About methyl 3-(aminomethyl)cyclobutane-1-carboxylate

methyl 3-(aminomethyl)cyclobutane-1-carboxylate (PubChem CID 86222901) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 3-(aminomethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)cyclobutane-1-carboxylate
PubChem CID86222901
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 3-(aminomethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(CN)C1
InChIInChI=1S/C7H13NO2/c1-10-7(9)6-2-5(3-6)4-8/h5-6H,2-4,8H2,1H3
InChIKeyNEPQUZNQTHTYJM-UHFFFAOYSA-N
XLogP0.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 5-aminopentanoate
CID 10964545
rac-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate
CID 45116481
rac-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate hydrochloride
CID 67429734
3-(Aminomethyl)cyclobutane-1-carboxylic acid hydrochloride
CID 73425046
Methyl 3-(aminomethyl)cyclobutanecarboxylate hydrochloride
CID 86222900
Methyl 5-amino-4-(trifluoromethyl)pentanoate hydrochloride
CID 87219513
rac-methyl (1R,2R)-2-aminocyclobutane-1-carboxylate hydrochloride
CID 145709054
5-Amino-2-methylpentanoic acid
CID 19904999
3-(Aminomethyl)cyclobutanecarboxylic acid
CID 58557901
Tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate hydrochloride
CID 155822576
5-Amino-4r-methylpentanoic acid
CID 88066643
5-Amino-4-methylpentanoic acid
CID 12040127

Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-(aminomethyl)cyclobutane-1-carboxylate (CID 86222901) is methyl 3-(aminomethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-(aminomethyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-(aminomethyl)cyclobutane-1-carboxylate is COC(=O)C1CC(CN)C1.
What is the InChIKey of methyl 3-(aminomethyl)cyclobutane-1-carboxylate?
The InChIKey is NEPQUZNQTHTYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-10-7(9)6-2-5(3-6)4-8/h5-6H,2-4,8H2,1H3.
What are the key properties of methyl 3-(aminomethyl)cyclobutane-1-carboxylate?
methyl 3-(aminomethyl)cyclobutane-1-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 86222901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).