1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide

C11H20N2O3 — CID 104759890

IUPAC1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCOC1(CNC(=O)C2(CN)CC2)CCOC1
InChIInChI=1S/C11H20N2O3/c1-15-11(4-5-16-8-11)7-13-9(14)10(6-12)2-3-10/h2-8,12H2,1H3,(H,13,14)
InChIKeyUEOGQJGUVPBMTJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.35
Rot. Bonds5

About 1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 104759890) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID104759890
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCOC1(CNC(=O)C2(CN)CC2)CCOC1
InChIInChI=1S/C11H20N2O3/c1-15-11(4-5-16-8-11)7-13-9(14)10(6-12)2-3-10/h2-8,12H2,1H3,(H,13,14)
InChIKeyUEOGQJGUVPBMTJ-UHFFFAOYSA-N
XLogP-0.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide (CID 104759890) is 1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide is COC1(CNC(=O)C2(CN)CC2)CCOC1.
What is the InChIKey of 1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is UEOGQJGUVPBMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-15-11(4-5-16-8-11)7-13-9(14)10(6-12)2-3-10/h2-8,12H2,1H3,(H,13,14).
What are the key properties of 1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 104759890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).