5-amino-4-hydroxypentanal

C5H11NO2 — CID 19767735

IUPAC5-amino-4-hydroxypentanal
SMILESNCC(O)CCC=O
InChIInChI=1S/C5H11NO2/c6-4-5(8)2-1-3-7/h3,5,8H,1-2,4,6H2
InChIKeyRPDYZESWPCBGOF-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.71
Rot. Bonds4

About 5-amino-4-hydroxypentanal

5-amino-4-hydroxypentanal (PubChem CID 19767735) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 5-amino-4-hydroxypentanal.

Molecular Properties

Compound Name5-amino-4-hydroxypentanal
PubChem CID19767735
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name5-amino-4-hydroxypentanal
SMILESNCC(O)CCC=O
InChIInChI=1S/C5H11NO2/c6-4-5(8)2-1-3-7/h3,5,8H,1-2,4,6H2
InChIKeyRPDYZESWPCBGOF-UHFFFAOYSA-N
XLogP-0.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxypentanal?
The IUPAC name of 5-amino-4-hydroxypentanal (CID 19767735) is 5-amino-4-hydroxypentanal.
What is the SMILES notation for 5-amino-4-hydroxypentanal?
The canonical SMILES for 5-amino-4-hydroxypentanal is NCC(O)CCC=O.
What is the InChIKey of 5-amino-4-hydroxypentanal?
The InChIKey is RPDYZESWPCBGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c6-4-5(8)2-1-3-7/h3,5,8H,1-2,4,6H2.
What are the key properties of 5-amino-4-hydroxypentanal?
5-amino-4-hydroxypentanal has a molecular weight of 117.15 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxypentanal is sourced from PubChem (CID 19767735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).