potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid

C6H14KN4O2+ — CID 22005786

IUPACpotassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCCC(N)C(=O)O.[K+]
InChIInChI=1S/C6H14N4O2.K/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);/q;+1
InChIKeyJHOSGESXTLAPQF-UHFFFAOYSA-N
MW213.30 g/mol
LogP-4.54
Rot. Bonds5

About potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid

potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid (PubChem CID 22005786) has the molecular formula C6H14KN4O2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Namepotassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
PubChem CID22005786
Molecular FormulaC6H14KN4O2+
Molecular Weight213.30 g/mol
Exact Mass213.07
IUPAC Namepotassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCCC(N)C(=O)O.[K+]
InChIInChI=1S/C6H14N4O2.K/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);/q;+1
InChIKeyJHOSGESXTLAPQF-UHFFFAOYSA-N
XLogP-4.54
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 5-4.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
2-amino-5-(diaminomethylideneamino)pentanoic acid;azane;phosphane
CID 175416337
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
CID 155169115
calcium;2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid;hydride
CID 174862078
2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
CID 174953444
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270

Frequently Asked Questions

What is the IUPAC name of potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid?
The IUPAC name of potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid (CID 22005786) is potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid.
What is the SMILES notation for potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid?
The canonical SMILES for potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid is NC(N)=NCCCC(N)C(=O)O.[K+].
What is the InChIKey of potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid?
The InChIKey is JHOSGESXTLAPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.K/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);/q;+1.
What are the key properties of potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid?
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid has a molecular weight of 213.30 g/mol, XLogP of -4.54, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 22005786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).