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

C18H41N4O6P — CID 87477767

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCOP(=O)(O)O.NC(N)=NCCC[C@H](N)C(=O)O
InChIInChI=1S/C12H27O4P.C6H14N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;7-4(5(11)12)2-1-3-10-6(8)9/h2-12H2,1H3,(H2,13,14,15);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1
InChIKeyUBOFQOFEMMJVOG-VWMHFEHESA-N
MW440.52 g/mol
LogP2.47
Rot. Bonds17

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

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate (PubChem CID 87477767) has the molecular formula C18H41N4O6P and a molecular weight of 440.52 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate
PubChem CID87477767
Molecular FormulaC18H41N4O6P
Molecular Weight440.52 g/mol
Exact Mass440.28
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCOP(=O)(O)O.NC(N)=NCCC[C@H](N)C(=O)O
InChIInChI=1S/C12H27O4P.C6H14N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;7-4(5(11)12)2-1-3-10-6(8)9/h2-12H2,1H3,(H2,13,14,15);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1
InChIKeyUBOFQOFEMMJVOG-VWMHFEHESA-N
XLogP2.47
TPSA194.48 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 52.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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

2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate
CID 18950168
2-amino-5-(diaminomethylideneamino)pentanoic acid;tetradecyl phosphate
CID 18950167
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate
CID 138397398
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
sodium;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl sulfate
CID 162137035
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
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;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate (CID 87477767) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate is CCCCCCCCCCCCOP(=O)(O)O.NC(N)=NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate?
The InChIKey is UBOFQOFEMMJVOG-VWMHFEHESA-N. The full InChI is InChI=1S/C12H27O4P.C6H14N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;7-4(5(11)12)2-1-3-10-6(8)9/h2-12H2,1H3,(H2,13,14,15);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate?
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate has a molecular weight of 440.52 g/mol, XLogP of 2.47, 17 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate is sourced from PubChem (CID 87477767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).