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

C18H39N4O6P-2 — CID 18950168

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate
SMILESCCCCCCCCCCCCOP(=O)([O-])[O-].NC(N)=NCCCC(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)/p-2
InChIKeyUBOFQOFEMMJVOG-UHFFFAOYSA-L
MW438.51 g/mol
LogP1.20
Rot. Bonds17

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

2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate (PubChem CID 18950168) has the molecular formula C18H39N4O6P-2 and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate
PubChem CID18950168
Molecular FormulaC18H39N4O6P-2
Molecular Weight438.51 g/mol
Exact Mass438.26
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate
SMILESCCCCCCCCCCCCOP(=O)([O-])[O-].NC(N)=NCCCC(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)/p-2
InChIKeyUBOFQOFEMMJVOG-UHFFFAOYSA-L
XLogP1.20
TPSA200.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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;tetradecyl phosphate
CID 18950167
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate
CID 87477767
trisodium;tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);phosphate
CID 173326115
sodium;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl sulfate
CID 162137035
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;acetate
CID 87670814
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate
CID 138397398
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate (CID 18950168) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate is CCCCCCCCCCCCOP(=O)([O-])[O-].NC(N)=NCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate?
The InChIKey is UBOFQOFEMMJVOG-UHFFFAOYSA-L. 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)/p-2.
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate?
2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate has a molecular weight of 438.51 g/mol, XLogP of 1.20, 17 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl phosphate is sourced from PubChem (CID 18950168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).