3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide

C8H12N2O3 — CID 55255526

IUPAC3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
SMILESNC(=O)CC(N)c1ccc(CO)o1
InChIInChI=1S/C8H12N2O3/c9-6(3-8(10)12)7-2-1-5(4-11)13-7/h1-2,6,11H,3-4,9H2,(H2,10,12)
InChIKeyLMBGITJFIIPVIF-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.35
Rot. Bonds4

About 3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide

3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide (PubChem CID 55255526) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
PubChem CID55255526
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
SMILESNC(=O)CC(N)c1ccc(CO)o1
InChIInChI=1S/C8H12N2O3/c9-6(3-8(10)12)7-2-1-5(4-11)13-7/h1-2,6,11H,3-4,9H2,(H2,10,12)
InChIKeyLMBGITJFIIPVIF-UHFFFAOYSA-N
XLogP-0.35
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide?
The IUPAC name of 3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide (CID 55255526) is 3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide.
What is the SMILES notation for 3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide?
The canonical SMILES for 3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide is NC(=O)CC(N)c1ccc(CO)o1.
What is the InChIKey of 3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide?
The InChIKey is LMBGITJFIIPVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c9-6(3-8(10)12)7-2-1-5(4-11)13-7/h1-2,6,11H,3-4,9H2,(H2,10,12).
What are the key properties of 3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide?
3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide has a molecular weight of 184.19 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide is sourced from PubChem (CID 55255526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).