2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid

C12H26N4O9 — CID 78121986

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid
SMILESNC(N)=NCCCC(N)C(=O)O.O=C(O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14N4O2.C6H12O7/c7-4(5(11)12)2-1-3-10-6(8)9;7-1-2(8)3(9)4(10)5(11)6(12)13/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-5,7-11H,1H2,(H,12,13)
InChIKeyWLKMOAITGHEWQX-UHFFFAOYSA-N
MW370.36 g/mol
LogP-5.04
Rot. Bonds10

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid

2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid (PubChem CID 78121986) has the molecular formula C12H26N4O9 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid
PubChem CID78121986
Molecular FormulaC12H26N4O9
Molecular Weight370.36 g/mol
Exact Mass370.17
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid
SMILESNC(N)=NCCCC(N)C(=O)O.O=C(O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14N4O2.C6H12O7/c7-4(5(11)12)2-1-3-10-6(8)9;7-1-2(8)3(9)4(10)5(11)6(12)13/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-5,7-11H,1H2,(H,12,13)
InChIKeyWLKMOAITGHEWQX-UHFFFAOYSA-N
XLogP-5.04
TPSA266.17 Ų
H-Bond Donors10
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.36
LogP ≤ 5-5.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 109

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

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162085050
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 158065697
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
CID 155169115
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine
CID 154790102
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid (CID 78121986) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid is NC(N)=NCCCC(N)C(=O)O.O=C(O)C(O)C(O)C(O)C(O)CO.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid?
The InChIKey is WLKMOAITGHEWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C6H12O7/c7-4(5(11)12)2-1-3-10-6(8)9;7-1-2(8)3(9)4(10)5(11)6(12)13/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-5,7-11H,1H2,(H,12,13).
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid?
2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid has a molecular weight of 370.36 g/mol, XLogP of -5.04, 10 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid is sourced from PubChem (CID 78121986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).