3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide

C9H12N2O4 — CID 90672504

IUPAC3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide
SMILESNCCC(=O)NCc1cc(=O)c(O)co1
InChIInChI=1S/C9H12N2O4/c10-2-1-9(14)11-4-6-3-7(12)8(13)5-15-6/h3,5,13H,1-2,4,10H2,(H,11,14)
InChIKeySNAZQBDZKJGFEV-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.69
Rot. Bonds4

About 3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide

3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide (PubChem CID 90672504) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide
PubChem CID90672504
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide
SMILESNCCC(=O)NCc1cc(=O)c(O)co1
InChIInChI=1S/C9H12N2O4/c10-2-1-9(14)11-4-6-3-7(12)8(13)5-15-6/h3,5,13H,1-2,4,10H2,(H,11,14)
InChIKeySNAZQBDZKJGFEV-UHFFFAOYSA-N
XLogP-0.69
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide (CID 90672504) is 3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide is NCCC(=O)NCc1cc(=O)c(O)co1.
What is the InChIKey of 3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide?
The InChIKey is SNAZQBDZKJGFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c10-2-1-9(14)11-4-6-3-7(12)8(13)5-15-6/h3,5,13H,1-2,4,10H2,(H,11,14).
What are the key properties of 3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide?
3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide has a molecular weight of 212.21 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide is sourced from PubChem (CID 90672504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).