acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron

C11H22FeN3O8- — CID 174426239

IUPACacetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron
SMILESNCC(=O)O.O=C(O)CNCCCNCC(=O)O.[CH2-]C(=O)O.[Fe]
InChIInChI=1S/C7H14N2O4.C2H5NO2.C2H3O2.Fe/c10-6(11)4-8-2-1-3-9-5-7(12)13;3-1-2(4)5;1-2(3)4;/h8-9H,1-5H2,(H,10,11)(H,12,13);1,3H2,(H,4,5);1H2,(H,3,4);/q;;-1;
InChIKeyNRNPBMHSRADJHK-UHFFFAOYSA-N
MW380.16 g/mol
LogP-2.34
Rot. Bonds9

About acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron

acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron (PubChem CID 174426239) has the molecular formula C11H22FeN3O8- and a molecular weight of 380.16 g/mol. Its IUPAC name is acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron.

Molecular Properties

Compound Nameacetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron
PubChem CID174426239
Molecular FormulaC11H22FeN3O8-
Molecular Weight380.16 g/mol
Exact Mass380.08
IUPAC Nameacetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron
SMILESNCC(=O)O.O=C(O)CNCCCNCC(=O)O.[CH2-]C(=O)O.[Fe]
InChIInChI=1S/C7H14N2O4.C2H5NO2.C2H3O2.Fe/c10-6(11)4-8-2-1-3-9-5-7(12)13;3-1-2(4)5;1-2(3)4;/h8-9H,1-5H2,(H,10,11)(H,12,13);1,3H2,(H,4,5);1H2,(H,3,4);/q;;-1;
InChIKeyNRNPBMHSRADJHK-UHFFFAOYSA-N
XLogP-2.34
TPSA199.28 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.16
LogP ≤ 5-2.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid
CID 175755991
2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine
CID 161009872
5-[(3-amino-2-oxopropyl)amino]pentanoic acid
CID 57465277
2-(4-hydroxybutylamino)acetic acid
CID 22121765
sodium 2-(3-hydroxypropylamino)acetic acid
CID 21242628
2-aminoacetic acid;molecular hydrogen
CID 173030336
2-(carboxymethylamino)acetic acid
CID 8897
2-aminoacetic acid;iron;nickel
CID 175589238
1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one
CID 15689284
2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride
CID 87629074
1-amino-3-[8-[(3-amino-2-oxopropyl)amino]octylamino]propan-2-one
CID 15689283
2-(4,4-difluorobutylamino)acetic acid
CID 171702884

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron?
The IUPAC name of acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron (CID 174426239) is acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron.
What is the SMILES notation for acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron?
The canonical SMILES for acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron is NCC(=O)O.O=C(O)CNCCCNCC(=O)O.[CH2-]C(=O)O.[Fe].
What is the InChIKey of acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron?
The InChIKey is NRNPBMHSRADJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4.C2H5NO2.C2H3O2.Fe/c10-6(11)4-8-2-1-3-9-5-7(12)13;3-1-2(4)5;1-2(3)4;/h8-9H,1-5H2,(H,10,11)(H,12,13);1,3H2,(H,4,5);1H2,(H,3,4);/q;;-1;.
What are the key properties of acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron?
acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron has a molecular weight of 380.16 g/mol, XLogP of -2.34, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron is sourced from PubChem (CID 174426239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).