disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate

C11H21N5Na2O6 — CID 174872928

IUPACdisodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate
SMILESNC(CCC(=O)[O-])C(=O)[O-].NC(N)=NCCCC(N)C(=O)O.[Na+].[Na+]
InChIInChI=1S/C6H14N4O2.C5H9NO4.2Na/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8;;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10);;/q;;2*+1/p-2
InChIKeyCMYOZUYPPBATLR-UHFFFAOYSA-L
MW365.30 g/mol
LogP-10.95
Rot. Bonds9

About disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate

disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate (PubChem CID 174872928) has the molecular formula C11H21N5Na2O6 and a molecular weight of 365.30 g/mol. Its IUPAC name is disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate.

Molecular Properties

Compound Namedisodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate
PubChem CID174872928
Molecular FormulaC11H21N5Na2O6
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC Namedisodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate
SMILESNC(CCC(=O)[O-])C(=O)[O-].NC(N)=NCCCC(N)C(=O)O.[Na+].[Na+]
InChIInChI=1S/C6H14N4O2.C5H9NO4.2Na/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8;;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10);;/q;;2*+1/p-2
InChIKeyCMYOZUYPPBATLR-UHFFFAOYSA-L
XLogP-10.95
TPSA234.00 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 5-10.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;acetate
CID 87670814
sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 23693954
bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)
CID 87871094
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
silver (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 22982496
lithium 2-amino-5-(diaminomethylideneamino)pentanoate
CID 23698044
tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);tris((2S)-2,6-diaminohexanoate);iron(3+)
CID 173057633
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid
CID 23618275
trisodium;tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);phosphate
CID 173326115
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 87266473
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269

Frequently Asked Questions

What is the IUPAC name of disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate?
The IUPAC name of disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate (CID 174872928) is disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate.
What is the SMILES notation for disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate?
The canonical SMILES for disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate is NC(CCC(=O)[O-])C(=O)[O-].NC(N)=NCCCC(N)C(=O)O.[Na+].[Na+].
What is the InChIKey of disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate?
The InChIKey is CMYOZUYPPBATLR-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14N4O2.C5H9NO4.2Na/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8;;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10);;/q;;2*+1/p-2.
What are the key properties of disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate?
disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate has a molecular weight of 365.30 g/mol, XLogP of -10.95, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate is sourced from PubChem (CID 174872928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).