2-aminopropanoic acid;benzene;iron

C9H13FeNO2 — CID 174869891

IUPAC2-aminopropanoic acid;benzene;iron
SMILESCC(N)C(=O)O.[Fe].c1ccccc1
InChIInChI=1S/C6H6.C3H7NO2.Fe/c1-2-4-6-5-3-1;1-2(4)3(5)6;/h1-6H;2H,4H2,1H3,(H,5,6);
InChIKeyMGIJDXIGLFWSHU-UHFFFAOYSA-N
MW223.05 g/mol
LogP1.10
Rot. Bonds1

About 2-aminopropanoic acid;benzene;iron

2-aminopropanoic acid;benzene;iron (PubChem CID 174869891) has the molecular formula C9H13FeNO2 and a molecular weight of 223.05 g/mol. Its IUPAC name is 2-aminopropanoic acid;benzene;iron.

Molecular Properties

Compound Name2-aminopropanoic acid;benzene;iron
PubChem CID174869891
Molecular FormulaC9H13FeNO2
Molecular Weight223.05 g/mol
Exact Mass223.03
IUPAC Name2-aminopropanoic acid;benzene;iron
SMILESCC(N)C(=O)O.[Fe].c1ccccc1
InChIInChI=1S/C6H6.C3H7NO2.Fe/c1-2-4-6-5-3-1;1-2(4)3(5)6;/h1-6H;2H,4H2,1H3,(H,5,6);
InChIKeyMGIJDXIGLFWSHU-UHFFFAOYSA-N
XLogP1.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.05
LogP ≤ 51.10
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

(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
CID 86589108
CID 86589108
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2S)-2-aminopropanoic acid;polane
CID 173022618
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
potassium;2-aminopropanoic acid;hydride
CID 173162937
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
calcium;(2S)-2-aminopropanoic acid;dichloride
CID 173075157

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;benzene;iron?
The IUPAC name of 2-aminopropanoic acid;benzene;iron (CID 174869891) is 2-aminopropanoic acid;benzene;iron.
What is the SMILES notation for 2-aminopropanoic acid;benzene;iron?
The canonical SMILES for 2-aminopropanoic acid;benzene;iron is CC(N)C(=O)O.[Fe].c1ccccc1.
What is the InChIKey of 2-aminopropanoic acid;benzene;iron?
The InChIKey is MGIJDXIGLFWSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H7NO2.Fe/c1-2-4-6-5-3-1;1-2(4)3(5)6;/h1-6H;2H,4H2,1H3,(H,5,6);.
What are the key properties of 2-aminopropanoic acid;benzene;iron?
2-aminopropanoic acid;benzene;iron has a molecular weight of 223.05 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;benzene;iron is sourced from PubChem (CID 174869891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).