methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate

C11H15NO4 — CID 115924474

IUPACmethyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC1(CO)CC1
InChIInChI=1S/C11H15NO4/c1-15-10(14)9-8(2-5-16-9)6-12-11(7-13)3-4-11/h2,5,12-13H,3-4,6-7H2,1H3
InChIKeySTBQSWSAHZQCOO-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.68
Rot. Bonds5

About methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate

methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate (PubChem CID 115924474) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate
PubChem CID115924474
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC1(CO)CC1
InChIInChI=1S/C11H15NO4/c1-15-10(14)9-8(2-5-16-9)6-12-11(7-13)3-4-11/h2,5,12-13H,3-4,6-7H2,1H3
InChIKeySTBQSWSAHZQCOO-UHFFFAOYSA-N
XLogP0.68
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate (CID 115924474) is methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNC1(CO)CC1.
What is the InChIKey of methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate?
The InChIKey is STBQSWSAHZQCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-10(14)9-8(2-5-16-9)6-12-11(7-13)3-4-11/h2,5,12-13H,3-4,6-7H2,1H3.
What are the key properties of methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate?
methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 115924474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).