sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride

C6H14ClN4NaO2 — CID 87252256

IUPACsodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
SMILESNC(N)=NCCCC(N)C(=O)O.[Cl-].[Na+]
InChIInChI=1S/C6H14N4O2.ClH.Na/c7-4(5(11)12)2-1-3-10-6(8)9;;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H;/q;;+1/p-1
InChIKeyNPJMDBHUQHLEPR-UHFFFAOYSA-M
MW232.65 g/mol
LogP-7.54
Rot. Bonds5

About sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride

sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride (PubChem CID 87252256) has the molecular formula C6H14ClN4NaO2 and a molecular weight of 232.65 g/mol. Its IUPAC name is sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride.

Molecular Properties

Compound Namesodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
PubChem CID87252256
Molecular FormulaC6H14ClN4NaO2
Molecular Weight232.65 g/mol
Exact Mass232.07
IUPAC Namesodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
SMILESNC(N)=NCCCC(N)C(=O)O.[Cl-].[Na+]
InChIInChI=1S/C6H14N4O2.ClH.Na/c7-4(5(11)12)2-1-3-10-6(8)9;;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H;/q;;+1/p-1
InChIKeyNPJMDBHUQHLEPR-UHFFFAOYSA-M
XLogP-7.54
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.65
LogP ≤ 5-7.54
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

potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
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
2-amino-5-(diaminomethylideneamino)pentanoic acid;azane;phosphane
CID 175416337
calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride
CID 175124660
trisodium;tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);phosphate
CID 173326115
calcium;2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid;hydride
CID 174862078
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
CID 155169115

Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride?
The IUPAC name of sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride (CID 87252256) is sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride.
What is the SMILES notation for sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride?
The canonical SMILES for sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride is NC(N)=NCCCC(N)C(=O)O.[Cl-].[Na+].
What is the InChIKey of sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride?
The InChIKey is NPJMDBHUQHLEPR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N4O2.ClH.Na/c7-4(5(11)12)2-1-3-10-6(8)9;;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H;/q;;+1/p-1.
What are the key properties of sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride?
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride has a molecular weight of 232.65 g/mol, XLogP of -7.54, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride is sourced from PubChem (CID 87252256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).