(5E)-5-(carbamoylhydrazinylidene)pentanoic acid

C6H11N3O3 — CID 119097520

IUPAC(5E)-5-(carbamoylhydrazinylidene)pentanoic acid
SMILESNC(=O)N/N=C/CCCC(=O)O
InChIInChI=1S/C6H11N3O3/c7-6(12)9-8-4-2-1-3-5(10)11/h4H,1-3H2,(H,10,11)(H3,7,9,12)/b8-4+
InChIKeyXZFVMYFTUXWSAS-XBXARRHUSA-N
MW173.17 g/mol
LogP-0.10
Rot. Bonds5

About (5E)-5-(carbamoylhydrazinylidene)pentanoic acid

(5E)-5-(carbamoylhydrazinylidene)pentanoic acid (PubChem CID 119097520) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is (5E)-5-(carbamoylhydrazinylidene)pentanoic acid.

Molecular Properties

Compound Name(5E)-5-(carbamoylhydrazinylidene)pentanoic acid
PubChem CID119097520
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name(5E)-5-(carbamoylhydrazinylidene)pentanoic acid
SMILESNC(=O)N/N=C/CCCC(=O)O
InChIInChI=1S/C6H11N3O3/c7-6(12)9-8-4-2-1-3-5(10)11/h4H,1-3H2,(H,10,11)(H3,7,9,12)/b8-4+
InChIKeyXZFVMYFTUXWSAS-XBXARRHUSA-N
XLogP-0.10
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-hydrazinylideneoctanoic acid
CID 88746391
(9E)-9-hydroxyiminononanoic acid
CID 135344053
CID 87067075
CID 87067075
oct-3-enedioic acid
CID 162155605
[(E)-2-oxobutylideneamino]urea
CID 55288593
34-amino-34-oxotetratriacontanoic acid
CID 139682719
N,N'-bis(butylideneamino)octanediamide
CID 5050764
2-methyl-1-[(E)-pentylideneamino]guanidine
CID 126544495
24-amino-24-oxotetracosanoic acid
CID 139682769
acetamide;pentanedioic acid
CID 160895913
N,N'-bis(butylideneamino)heptanediamide
CID 4260370
[(E)-[(E)-3-methylpent-2-enylidene]amino]urea
CID 50989810

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(carbamoylhydrazinylidene)pentanoic acid?
The IUPAC name of (5E)-5-(carbamoylhydrazinylidene)pentanoic acid (CID 119097520) is (5E)-5-(carbamoylhydrazinylidene)pentanoic acid.
What is the SMILES notation for (5E)-5-(carbamoylhydrazinylidene)pentanoic acid?
The canonical SMILES for (5E)-5-(carbamoylhydrazinylidene)pentanoic acid is NC(=O)N/N=C/CCCC(=O)O.
What is the InChIKey of (5E)-5-(carbamoylhydrazinylidene)pentanoic acid?
The InChIKey is XZFVMYFTUXWSAS-XBXARRHUSA-N. The full InChI is InChI=1S/C6H11N3O3/c7-6(12)9-8-4-2-1-3-5(10)11/h4H,1-3H2,(H,10,11)(H3,7,9,12)/b8-4+.
What are the key properties of (5E)-5-(carbamoylhydrazinylidene)pentanoic acid?
(5E)-5-(carbamoylhydrazinylidene)pentanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(carbamoylhydrazinylidene)pentanoic acid is sourced from PubChem (CID 119097520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).