methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate

C13H19NO3 — CID 60780737

IUPACmethyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccc(C2CC2C)o1
InChIInChI=1S/C13H19NO3/c1-8-6-11(8)12-5-4-10(17-12)7-14-9(2)13(15)16-3/h4-5,8-9,11,14H,6-7H2,1-3H3
InChIKeyIYYBPLRBBWURLS-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.05
Rot. Bonds5

About methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate

methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate (PubChem CID 60780737) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
PubChem CID60780737
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccc(C2CC2C)o1
InChIInChI=1S/C13H19NO3/c1-8-6-11(8)12-5-4-10(17-12)7-14-9(2)13(15)16-3/h4-5,8-9,11,14H,6-7H2,1-3H3
InChIKeyIYYBPLRBBWURLS-UHFFFAOYSA-N
XLogP2.05
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate?
The IUPAC name of methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate (CID 60780737) is methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate.
What is the SMILES notation for methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate?
The canonical SMILES for methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate is COC(=O)C(C)NCc1ccc(C2CC2C)o1.
What is the InChIKey of methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate?
The InChIKey is IYYBPLRBBWURLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-6-11(8)12-5-4-10(17-12)7-14-9(2)13(15)16-3/h4-5,8-9,11,14H,6-7H2,1-3H3.
What are the key properties of methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate?
methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate has a molecular weight of 237.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate is sourced from PubChem (CID 60780737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).