4-hydroxybutanoic acid;iron

C4H8FeO3 — CID 175070991

IUPAC4-hydroxybutanoic acid;iron
SMILESO=C(O)CCCO.[Fe]
InChIInChI=1S/C4H8O3.Fe/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);
InChIKeyHQXQFRLETFWZAW-UHFFFAOYSA-N
MW159.95 g/mol
LogP-0.16
Rot. Bonds3

About 4-hydroxybutanoic acid;iron

4-hydroxybutanoic acid;iron (PubChem CID 175070991) has the molecular formula C4H8FeO3 and a molecular weight of 159.95 g/mol. Its IUPAC name is 4-hydroxybutanoic acid;iron.

Molecular Properties

Compound Name4-hydroxybutanoic acid;iron
PubChem CID175070991
Molecular FormulaC4H8FeO3
Molecular Weight159.95 g/mol
Exact Mass159.98
IUPAC Name4-hydroxybutanoic acid;iron
SMILESO=C(O)CCCO.[Fe]
InChIInChI=1S/C4H8O3.Fe/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);
InChIKeyHQXQFRLETFWZAW-UHFFFAOYSA-N
XLogP-0.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.95
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxybutanoic acid;yttrium
CID 58261226
acetic acid;4-hydroxybutanoic acid
CID 173284712
5-hydroxypentanoic acid
CID 25945
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
38-hydroxyoctatriacontanoic acid
CID 18981443
10-hydroxydecanoic acid
CID 138734563
31-hydroxyhentriacontanoic acid
CID 71339995
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butanedioic acid;butane-1,4-diol;decanedioic acid
CID 175347429
12-hydroxydodecanoic acid;zinc
CID 88673734
lithium;hydride;5-hydroxypentanoic acid
CID 173343870
CID 162333795
CID 162333795

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutanoic acid;iron?
The IUPAC name of 4-hydroxybutanoic acid;iron (CID 175070991) is 4-hydroxybutanoic acid;iron.
What is the SMILES notation for 4-hydroxybutanoic acid;iron?
The canonical SMILES for 4-hydroxybutanoic acid;iron is O=C(O)CCCO.[Fe].
What is the InChIKey of 4-hydroxybutanoic acid;iron?
The InChIKey is HQXQFRLETFWZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.Fe/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);.
What are the key properties of 4-hydroxybutanoic acid;iron?
4-hydroxybutanoic acid;iron has a molecular weight of 159.95 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutanoic acid;iron is sourced from PubChem (CID 175070991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).