(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid

C10H24N6O4 — CID 122439105

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)O.NCCC(N)C(=O)O
InChIInChI=1S/C6H14N4O2.C4H10N2O2/c7-4(5(11)12)2-1-3-10-6(8)9;5-2-1-3(6)4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,5-6H2,(H,7,8)/t4-;/m0./s1
InChIKeyGURGCHLBSSNCKO-WCCKRBBISA-N
MW292.34 g/mol
LogP-2.80
Rot. Bonds8

About (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid (PubChem CID 122439105) has the molecular formula C10H24N6O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid
PubChem CID122439105
Molecular FormulaC10H24N6O4
Molecular Weight292.34 g/mol
Exact Mass292.19
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)O.NCCC(N)C(=O)O
InChIInChI=1S/C6H14N4O2.C4H10N2O2/c7-4(5(11)12)2-1-3-10-6(8)9;5-2-1-3(6)4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,5-6H2,(H,7,8)/t4-;/m0./s1
InChIKeyGURGCHLBSSNCKO-WCCKRBBISA-N
XLogP-2.80
TPSA217.06 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.34
LogP ≤ 5-2.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

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-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22328371
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid (CID 122439105) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid is NC(N)=NCCC[C@H](N)C(=O)O.NCCC(N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid?
The InChIKey is GURGCHLBSSNCKO-WCCKRBBISA-N. The full InChI is InChI=1S/C6H14N4O2.C4H10N2O2/c7-4(5(11)12)2-1-3-10-6(8)9;5-2-1-3(6)4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,5-6H2,(H,7,8)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid?
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid has a molecular weight of 292.34 g/mol, XLogP of -2.80, 8 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid is sourced from PubChem (CID 122439105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).