3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide

C10H14N2O3 — CID 115185551

IUPAC3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
SMILESCc1ccc(NC(=O)C2(CN)COC2)o1
InChIInChI=1S/C10H14N2O3/c1-7-2-3-8(15-7)12-9(13)10(4-11)5-14-6-10/h2-3H,4-6,11H2,1H3,(H,12,13)
InChIKeySLVXUNBJSJEDJA-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.50
Rot. Bonds3

About 3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide

3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide (PubChem CID 115185551) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
PubChem CID115185551
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
SMILESCc1ccc(NC(=O)C2(CN)COC2)o1
InChIInChI=1S/C10H14N2O3/c1-7-2-3-8(15-7)12-9(13)10(4-11)5-14-6-10/h2-3H,4-6,11H2,1H3,(H,12,13)
InChIKeySLVXUNBJSJEDJA-UHFFFAOYSA-N
XLogP0.50
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
CID 115185619
3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide
CID 115185518
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
4-(aminomethyl)-N-(2-hydroxy-3-methylphenyl)oxane-4-carboxamide
CID 115439713
3-amino-2,2-dimethyl-N-(5-methylfuran-2-yl)propanamide
CID 115154533
3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide
CID 115185546
3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide
CID 115185496
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
CID 63327479
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-6-methylbenzoic acid
CID 115439600
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-(aminomethyl)-N-(2-bromophenyl)oxane-4-carboxamide
CID 115438925
3-hydroxy-N-(5-methylfuran-2-yl)propanamide
CID 115138791

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide (CID 115185551) is 3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide is Cc1ccc(NC(=O)C2(CN)COC2)o1.
What is the InChIKey of 3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide?
The InChIKey is SLVXUNBJSJEDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-2-3-8(15-7)12-9(13)10(4-11)5-14-6-10/h2-3H,4-6,11H2,1H3,(H,12,13).
What are the key properties of 3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide?
3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide has a molecular weight of 210.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide is sourced from PubChem (CID 115185551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).