5-amino-4,4-dihydroxypentanoic acid

C5H11NO4 — CID 23255849

IUPAC5-amino-4,4-dihydroxypentanoic acid
SMILESNCC(O)(O)CCC(=O)O
InChIInChI=1S/C5H11NO4/c6-3-5(9,10)2-1-4(7)8/h9-10H,1-3,6H2,(H,7,8)
InChIKeyHCDCNYHWBSJOJU-UHFFFAOYSA-N
MW149.15 g/mol
LogP-1.51
Rot. Bonds4

About 5-amino-4,4-dihydroxypentanoic acid

5-amino-4,4-dihydroxypentanoic acid (PubChem CID 23255849) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is 5-amino-4,4-dihydroxypentanoic acid.

Molecular Properties

Compound Name5-amino-4,4-dihydroxypentanoic acid
PubChem CID23255849
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name5-amino-4,4-dihydroxypentanoic acid
SMILESNCC(O)(O)CCC(=O)O
InChIInChI=1S/C5H11NO4/c6-3-5(9,10)2-1-4(7)8/h9-10H,1-3,6H2,(H,7,8)
InChIKeyHCDCNYHWBSJOJU-UHFFFAOYSA-N
XLogP-1.51
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4,4-dihydroxypentanoic acid?
The IUPAC name of 5-amino-4,4-dihydroxypentanoic acid (CID 23255849) is 5-amino-4,4-dihydroxypentanoic acid.
What is the SMILES notation for 5-amino-4,4-dihydroxypentanoic acid?
The canonical SMILES for 5-amino-4,4-dihydroxypentanoic acid is NCC(O)(O)CCC(=O)O.
What is the InChIKey of 5-amino-4,4-dihydroxypentanoic acid?
The InChIKey is HCDCNYHWBSJOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c6-3-5(9,10)2-1-4(7)8/h9-10H,1-3,6H2,(H,7,8).
What are the key properties of 5-amino-4,4-dihydroxypentanoic acid?
5-amino-4,4-dihydroxypentanoic acid has a molecular weight of 149.15 g/mol, XLogP of -1.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,4-dihydroxypentanoic acid is sourced from PubChem (CID 23255849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).