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

C10H14N2O4 — CID 90672505

IUPAC4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide
SMILESNCCCC(=O)NCc1cc(=O)c(O)co1
InChIInChI=1S/C10H14N2O4/c11-3-1-2-10(15)12-5-7-4-8(13)9(14)6-16-7/h4,6,14H,1-3,5,11H2,(H,12,15)
InChIKeyUWDAJOXMGFCHJX-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.30
Rot. Bonds5

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

4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide (PubChem CID 90672505) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide
PubChem CID90672505
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide
SMILESNCCCC(=O)NCc1cc(=O)c(O)co1
InChIInChI=1S/C10H14N2O4/c11-3-1-2-10(15)12-5-7-4-8(13)9(14)6-16-7/h4,6,14H,1-3,5,11H2,(H,12,15)
InChIKeyUWDAJOXMGFCHJX-UHFFFAOYSA-N
XLogP-0.30
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide (CID 90672505) is 4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide is NCCCC(=O)NCc1cc(=O)c(O)co1.
What is the InChIKey of 4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide?
The InChIKey is UWDAJOXMGFCHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c11-3-1-2-10(15)12-5-7-4-8(13)9(14)6-16-7/h4,6,14H,1-3,5,11H2,(H,12,15).
What are the key properties of 4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide?
4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide has a molecular weight of 226.23 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide is sourced from PubChem (CID 90672505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).