iron;2-methylbutanoic acid

C5H10FeO2 — CID 175205801

IUPACiron;2-methylbutanoic acid
SMILESCCC(C)C(=O)O.[Fe]
InChIInChI=1S/C5H10O2.Fe/c1-3-4(2)5(6)7;/h4H,3H2,1-2H3,(H,6,7);
InChIKeyRPGCYKOFQBPHID-UHFFFAOYSA-N
MW157.98 g/mol
LogP1.11
Rot. Bonds2

About iron;2-methylbutanoic acid

iron;2-methylbutanoic acid (PubChem CID 175205801) has the molecular formula C5H10FeO2 and a molecular weight of 157.98 g/mol. Its IUPAC name is iron;2-methylbutanoic acid.

Molecular Properties

Compound Nameiron;2-methylbutanoic acid
PubChem CID175205801
Molecular FormulaC5H10FeO2
Molecular Weight157.98 g/mol
Exact Mass158.00
IUPAC Nameiron;2-methylbutanoic acid
SMILESCCC(C)C(=O)O.[Fe]
InChIInChI=1S/C5H10O2.Fe/c1-3-4(2)5(6)7;/h4H,3H2,1-2H3,(H,6,7);
InChIKeyRPGCYKOFQBPHID-UHFFFAOYSA-N
XLogP1.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.98
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methane;(2S)-2-methylbutanoic acid
CID 159302978
ethane;2-methylbutanoic acid
CID 87621166
bis(2-methylbutanoic acid);nickel
CID 170549792
CID 88513173
CID 88513173
methyl butanoate;2-methylbutanoic acid
CID 87240757
(2R)-2-methylbutanoic acid;2-methyloxetane
CID 70383358
ethane;ethenyl acetate;2-methylbutanoic acid
CID 174248174
(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
CID 163059027
2,4,6,8-tetramethyldecanoic acid
CID 5312348
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylic acid
CID 123247671
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
CID 159174397
CID 159174397

Frequently Asked Questions

What is the IUPAC name of iron;2-methylbutanoic acid?
The IUPAC name of iron;2-methylbutanoic acid (CID 175205801) is iron;2-methylbutanoic acid.
What is the SMILES notation for iron;2-methylbutanoic acid?
The canonical SMILES for iron;2-methylbutanoic acid is CCC(C)C(=O)O.[Fe].
What is the InChIKey of iron;2-methylbutanoic acid?
The InChIKey is RPGCYKOFQBPHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.Fe/c1-3-4(2)5(6)7;/h4H,3H2,1-2H3,(H,6,7);.
What are the key properties of iron;2-methylbutanoic acid?
iron;2-methylbutanoic acid has a molecular weight of 157.98 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iron;2-methylbutanoic acid is sourced from PubChem (CID 175205801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).