methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate

C13H20N2O3 — CID 170883928

IUPACmethyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(N2CCCCC2)o1
InChIInChI=1S/C13H20N2O3/c1-17-13(16)11(14)9-10-5-6-12(18-10)15-7-3-2-4-8-15/h5-6,11H,2-4,7-9,14H2,1H3
InChIKeyMDHWMDHADOBPMZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.31
Rot. Bonds4

About methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate

methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate (PubChem CID 170883928) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate
PubChem CID170883928
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namemethyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(N2CCCCC2)o1
InChIInChI=1S/C13H20N2O3/c1-17-13(16)11(14)9-10-5-6-12(18-10)15-7-3-2-4-8-15/h5-6,11H,2-4,7-9,14H2,1H3
InChIKeyMDHWMDHADOBPMZ-UHFFFAOYSA-N
XLogP1.31
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid
CID 129366754
1-(5-ethylfuran-2-yl)piperidine
CID 137390727
methyl 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoate
CID 170884232
methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate
CID 170883905
(1R)-1-(5-piperidin-1-ylfuran-2-yl)ethanamine
CID 55276055
methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate
CID 170884134
methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate
CID 170884292
methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate
CID 170884554
methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate
CID 170884284
methyl 2-amino-3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanoate
CID 170884286
methyl 2-amino-3-piperidin-1-ylpropanoate
CID 10988984
methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate
CID 170883920

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate (CID 170883928) is methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate is COC(=O)C(N)Cc1ccc(N2CCCCC2)o1.
What is the InChIKey of methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate?
The InChIKey is MDHWMDHADOBPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-17-13(16)11(14)9-10-5-6-12(18-10)15-7-3-2-4-8-15/h5-6,11H,2-4,7-9,14H2,1H3.
What are the key properties of methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate?
methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate has a molecular weight of 252.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate is sourced from PubChem (CID 170883928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).