methyl 1-(aminomethyl)cyclopropane-1-carboxylate

C6H11NO2 — CID 21464885

IUPACmethyl 1-(aminomethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN)CC1
InChIInChI=1S/C6H11NO2/c1-9-5(8)6(4-7)2-3-6/h2-4,7H2,1H3
InChIKeyJQIHWQKTYOKPMO-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.10
Rot. Bonds2

About methyl 1-(aminomethyl)cyclopropane-1-carboxylate

methyl 1-(aminomethyl)cyclopropane-1-carboxylate (PubChem CID 21464885) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 1-(aminomethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(aminomethyl)cyclopropane-1-carboxylate
PubChem CID21464885
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 1-(aminomethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN)CC1
InChIInChI=1S/C6H11NO2/c1-9-5(8)6(4-7)2-3-6/h2-4,7H2,1H3
InChIKeyJQIHWQKTYOKPMO-UHFFFAOYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(aminomethyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(aminomethyl)cyclopropane-1-carboxylate (CID 21464885) is methyl 1-(aminomethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(aminomethyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(aminomethyl)cyclopropane-1-carboxylate is COC(=O)C1(CN)CC1.
What is the InChIKey of methyl 1-(aminomethyl)cyclopropane-1-carboxylate?
The InChIKey is JQIHWQKTYOKPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-9-5(8)6(4-7)2-3-6/h2-4,7H2,1H3.
What are the key properties of methyl 1-(aminomethyl)cyclopropane-1-carboxylate?
methyl 1-(aminomethyl)cyclopropane-1-carboxylate has a molecular weight of 129.16 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(aminomethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 21464885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).