2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium

C6H14CeN4O2 — CID 86698939

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
SMILESNC(N)=NCCCC(N)C(=O)O.[Ce]
InChIInChI=1S/C6H14N4O2.Ce/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);
InChIKeyZOKOFJIBYMDNEO-UHFFFAOYSA-N
MW314.32 g/mol
LogP-1.55
Rot. Bonds5

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium

2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium (PubChem CID 86698939) has the molecular formula C6H14CeN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
PubChem CID86698939
Molecular FormulaC6H14CeN4O2
Molecular Weight314.32 g/mol
Exact Mass314.02
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
SMILESNC(N)=NCCCC(N)C(=O)O.[Ce]
InChIInChI=1S/C6H14N4O2.Ce/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);
InChIKeyZOKOFJIBYMDNEO-UHFFFAOYSA-N
XLogP-1.55
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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'}

Analyze 2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
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;ethane-1,2-diol
CID 155169115
calcium;2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid;hydride
CID 174862078
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
CID 174953444

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium (CID 86698939) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium is NC(N)=NCCCC(N)C(=O)O.[Ce].
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium?
The InChIKey is ZOKOFJIBYMDNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.Ce/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);.
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium?
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium has a molecular weight of 314.32 g/mol, XLogP of -1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium is sourced from PubChem (CID 86698939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).