2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine

C12H30N8O3 — CID 154790102

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine
SMILESNC(N)=NCCCC(N)C(=O)O.NC(N)=NCCCC(N)CO
InChIInChI=1S/C6H14N4O2.C6H16N4O/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(4-11)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);5,11H,1-4,7H2,(H4,8,9,10)
InChIKeyOLRJUSXVVFYSKZ-UHFFFAOYSA-N
MW334.43 g/mol
LogP-3.19
Rot. Bonds10

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine

2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine (PubChem CID 154790102) has the molecular formula C12H30N8O3 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine
PubChem CID154790102
Molecular FormulaC12H30N8O3
Molecular Weight334.43 g/mol
Exact Mass334.24
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine
SMILESNC(N)=NCCCC(N)C(=O)O.NC(N)=NCCCC(N)CO
InChIInChI=1S/C6H14N4O2.C6H16N4O/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(4-11)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);5,11H,1-4,7H2,(H4,8,9,10)
InChIKeyOLRJUSXVVFYSKZ-UHFFFAOYSA-N
XLogP-3.19
TPSA238.37 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.43
LogP ≤ 5-3.19
H-Bond Donors ≤ 58
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

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 158065697
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
CID 155169115
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
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
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;ethanol;hydrochloride
CID 174671345

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine (CID 154790102) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine is NC(N)=NCCCC(N)C(=O)O.NC(N)=NCCCC(N)CO.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine?
The InChIKey is OLRJUSXVVFYSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C6H16N4O/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(4-11)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);5,11H,1-4,7H2,(H4,8,9,10).
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine?
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine has a molecular weight of 334.43 g/mol, XLogP of -3.19, 10 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine is sourced from PubChem (CID 154790102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).