sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

C6H13N4NaO2 — CID 23693954

IUPACsodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
SMILESNC(N)=NCCC[C@H](N)C(=O)[O-].[Na+]
InChIInChI=1S/C6H14N4O2.Na/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/p-1/t4-;/m0./s1
InChIKeyYFGAFXCSLUUJRG-WCCKRBBISA-M
MW196.19 g/mol
LogP-5.88
Rot. Bonds5

About sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate (PubChem CID 23693954) has the molecular formula C6H13N4NaO2 and a molecular weight of 196.19 g/mol. Its IUPAC name is sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate.

Molecular Properties

Compound Namesodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
PubChem CID23693954
Molecular FormulaC6H13N4NaO2
Molecular Weight196.19 g/mol
Exact Mass196.09
IUPAC Namesodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
SMILESNC(N)=NCCC[C@H](N)C(=O)[O-].[Na+]
InChIInChI=1S/C6H14N4O2.Na/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/p-1/t4-;/m0./s1
InChIKeyYFGAFXCSLUUJRG-WCCKRBBISA-M
XLogP-5.88
TPSA130.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 5-5.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)
CID 87871094
silver (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 22982496
lithium 2-amino-5-(diaminomethylideneamino)pentanoate
CID 23698044
disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate
CID 174872928
tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);tris((2S)-2,6-diaminohexanoate);iron(3+)
CID 173057633
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;acetate
CID 87670814
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
trisodium;tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);phosphate
CID 173326115
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
CID 148549372
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269

Frequently Asked Questions

What is the IUPAC name of sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The IUPAC name of sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate (CID 23693954) is sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate.
What is the SMILES notation for sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The canonical SMILES for sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate is NC(N)=NCCC[C@H](N)C(=O)[O-].[Na+].
What is the InChIKey of sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The InChIKey is YFGAFXCSLUUJRG-WCCKRBBISA-M. The full InChI is InChI=1S/C6H14N4O2.Na/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/p-1/t4-;/m0./s1.
What are the key properties of sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate has a molecular weight of 196.19 g/mol, XLogP of -5.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate is sourced from PubChem (CID 23693954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).