(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate

C8H22N5O6P — CID 138397398

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate
SMILESNC(N)=NCCC[C@H](N)C(=O)O.NCCOP(=O)(O)O
InChIInChI=1S/C6H14N4O2.C2H8NO4P/c7-4(5(11)12)2-1-3-10-6(8)9;3-1-2-7-8(4,5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-3H2,(H2,4,5,6)/t4-;/m0./s1
InChIKeyKPUSLFZICUAWHG-WCCKRBBISA-N
MW315.27 g/mol
LogP-2.49
Rot. Bonds8

About (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate (PubChem CID 138397398) has the molecular formula C8H22N5O6P and a molecular weight of 315.27 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate
PubChem CID138397398
Molecular FormulaC8H22N5O6P
Molecular Weight315.27 g/mol
Exact Mass315.13
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate
SMILESNC(N)=NCCC[C@H](N)C(=O)O.NCCOP(=O)(O)O
InChIInChI=1S/C6H14N4O2.C2H8NO4P/c7-4(5(11)12)2-1-3-10-6(8)9;3-1-2-7-8(4,5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-3H2,(H2,4,5,6)/t4-;/m0./s1
InChIKeyKPUSLFZICUAWHG-WCCKRBBISA-N
XLogP-2.49
TPSA220.50 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.27
LogP ≤ 5-2.49
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate
CID 87477767
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid
CID 122439105
trisodium;tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);phosphate
CID 173326115
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
(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
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22328371
CID 141048538
CID 141048538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate (CID 138397398) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate is NC(N)=NCCC[C@H](N)C(=O)O.NCCOP(=O)(O)O.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate?
The InChIKey is KPUSLFZICUAWHG-WCCKRBBISA-N. The full InChI is InChI=1S/C6H14N4O2.C2H8NO4P/c7-4(5(11)12)2-1-3-10-6(8)9;3-1-2-7-8(4,5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-3H2,(H2,4,5,6)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate?
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate has a molecular weight of 315.27 g/mol, XLogP of -2.49, 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-aminoethyl dihydrogen phosphate is sourced from PubChem (CID 138397398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).