2-[(2-aminoacetyl)amino]acetic acid;iron

C4H8FeN2O3 — CID 88519738

IUPAC2-[(2-aminoacetyl)amino]acetic acid;iron
SMILESNCC(=O)NCC(=O)O.[Fe]
InChIInChI=1S/C4H8N2O3.Fe/c5-1-3(7)6-2-4(8)9;/h1-2,5H2,(H,6,7)(H,8,9);
InChIKeyQFSBKGOVNRRMDH-UHFFFAOYSA-N
MW187.96 g/mol
LogP-1.86
Rot. Bonds3

About 2-[(2-aminoacetyl)amino]acetic acid;iron

2-[(2-aminoacetyl)amino]acetic acid;iron (PubChem CID 88519738) has the molecular formula C4H8FeN2O3 and a molecular weight of 187.96 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]acetic acid;iron.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]acetic acid;iron
PubChem CID88519738
Molecular FormulaC4H8FeN2O3
Molecular Weight187.96 g/mol
Exact Mass187.99
IUPAC Name2-[(2-aminoacetyl)amino]acetic acid;iron
SMILESNCC(=O)NCC(=O)O.[Fe]
InChIInChI=1S/C4H8N2O3.Fe/c5-1-3(7)6-2-4(8)9;/h1-2,5H2,(H,6,7)(H,8,9);
InChIKeyQFSBKGOVNRRMDH-UHFFFAOYSA-N
XLogP-1.86
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.96
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid
CID 131726212
bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid
CID 22493014
(3S)-3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
CID 162410189
2-[[2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 175824631
azanium 2-[(2-aminoacetyl)amino]acetate
CID 172849097
2-[[2-(hydroxyamino)acetyl]amino]acetic acid
CID 118448410
2-(7-aminoheptanoylamino)acetic acid
CID 18934956
2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 71358180
2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
CID 11394267
S-phenyl 2-[(2-aminoacetyl)amino]ethanethioate
CID 162410967
2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid
CID 175691421
2-[[(2S)-2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid
CID 10025121

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]acetic acid;iron?
The IUPAC name of 2-[(2-aminoacetyl)amino]acetic acid;iron (CID 88519738) is 2-[(2-aminoacetyl)amino]acetic acid;iron.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]acetic acid;iron?
The canonical SMILES for 2-[(2-aminoacetyl)amino]acetic acid;iron is NCC(=O)NCC(=O)O.[Fe].
What is the InChIKey of 2-[(2-aminoacetyl)amino]acetic acid;iron?
The InChIKey is QFSBKGOVNRRMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.Fe/c5-1-3(7)6-2-4(8)9;/h1-2,5H2,(H,6,7)(H,8,9);.
What are the key properties of 2-[(2-aminoacetyl)amino]acetic acid;iron?
2-[(2-aminoacetyl)amino]acetic acid;iron has a molecular weight of 187.96 g/mol, XLogP of -1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]acetic acid;iron is sourced from PubChem (CID 88519738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).