methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate

C14H19NO5 — CID 80708462

IUPACmethyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1cc(=O)c(O)co1)C1CCCC1
InChIInChI=1S/C14H19NO5/c1-19-14(18)8-15(10-4-2-3-5-10)7-11-6-12(16)13(17)9-20-11/h6,9-10,17H,2-5,7-8H2,1H3
InChIKeyNBZDRVIYGNABDG-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.26
Rot. Bonds5

About methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate

methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate (PubChem CID 80708462) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate
PubChem CID80708462
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1cc(=O)c(O)co1)C1CCCC1
InChIInChI=1S/C14H19NO5/c1-19-14(18)8-15(10-4-2-3-5-10)7-11-6-12(16)13(17)9-20-11/h6,9-10,17H,2-5,7-8H2,1H3
InChIKeyNBZDRVIYGNABDG-UHFFFAOYSA-N
XLogP1.26
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate (CID 80708462) is methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate is COC(=O)CN(Cc1cc(=O)c(O)co1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate?
The InChIKey is NBZDRVIYGNABDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-14(18)8-15(10-4-2-3-5-10)7-11-6-12(16)13(17)9-20-11/h6,9-10,17H,2-5,7-8H2,1H3.
What are the key properties of methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate?
methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate has a molecular weight of 281.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate is sourced from PubChem (CID 80708462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).