2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol

C8H20N4O4 — CID 155169115

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
SMILESNC(N)=NCCCC(N)C(=O)O.OCCO
InChIInChI=1S/C6H14N4O2.C2H6O2/c7-4(5(11)12)2-1-3-10-6(8)9;3-1-2-4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3-4H,1-2H2
InChIKeyYAMUAAODLHRDRY-UHFFFAOYSA-N
MW236.27 g/mol
LogP-2.58
Rot. Bonds6

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol

2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol (PubChem CID 155169115) has the molecular formula C8H20N4O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
PubChem CID155169115
Molecular FormulaC8H20N4O4
Molecular Weight236.27 g/mol
Exact Mass236.15
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
SMILESNC(N)=NCCCC(N)C(=O)O.OCCO
InChIInChI=1S/C6H14N4O2.C2H6O2/c7-4(5(11)12)2-1-3-10-6(8)9;3-1-2-4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3-4H,1-2H2
InChIKeyYAMUAAODLHRDRY-UHFFFAOYSA-N
XLogP-2.58
TPSA168.18 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.27
LogP ≤ 5-2.58
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'}

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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-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 158065697
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;ethane-1,2-diol?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol (CID 155169115) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol is NC(N)=NCCCC(N)C(=O)O.OCCO.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol?
The InChIKey is YAMUAAODLHRDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C2H6O2/c7-4(5(11)12)2-1-3-10-6(8)9;3-1-2-4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3-4H,1-2H2.
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol?
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol has a molecular weight of 236.27 g/mol, XLogP of -2.58, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol is sourced from PubChem (CID 155169115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).