4-(tert-butylhydrazinylidene)pentanoic acid

C9H18N2O2 — CID 88817023

IUPAC4-(tert-butylhydrazinylidene)pentanoic acid
SMILESCC(CCC(=O)O)=NNC(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-7(5-6-8(12)13)10-11-9(2,3)4/h11H,5-6H2,1-4H3,(H,12,13)
InChIKeyXYFDMSBWKKDMJB-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.62
Rot. Bonds4

About 4-(tert-butylhydrazinylidene)pentanoic acid

4-(tert-butylhydrazinylidene)pentanoic acid (PubChem CID 88817023) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(tert-butylhydrazinylidene)pentanoic acid.

Molecular Properties

Compound Name4-(tert-butylhydrazinylidene)pentanoic acid
PubChem CID88817023
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-(tert-butylhydrazinylidene)pentanoic acid
SMILESCC(CCC(=O)O)=NNC(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-7(5-6-8(12)13)10-11-9(2,3)4/h11H,5-6H2,1-4H3,(H,12,13)
InChIKeyXYFDMSBWKKDMJB-UHFFFAOYSA-N
XLogP1.62
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyliminopentanoic acid
CID 146611944
(4E)-4-[[(Z)-4-carboxybutan-2-ylideneamino]carbamothioylhydrazinylidene]pentanoic acid
CID 6251262
4-[(2E)-2-(4-carboxybutan-2-ylidene)hydrazinyl]benzoic acid
CID 5354683
4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid
CID 131854983
acetamide;butanedioic acid
CID 175267619
sodium;butanedioic acid;hydride;iron
CID 173304011
azane;butanedioic acid;methanol
CID 131741728
bis(butanedioic acid);carbonic acid
CID 159577506
trisodium;butanedioic acid
CID 175698490
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
azane;butanedioic acid
CID 87070561

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylhydrazinylidene)pentanoic acid?
The IUPAC name of 4-(tert-butylhydrazinylidene)pentanoic acid (CID 88817023) is 4-(tert-butylhydrazinylidene)pentanoic acid.
What is the SMILES notation for 4-(tert-butylhydrazinylidene)pentanoic acid?
The canonical SMILES for 4-(tert-butylhydrazinylidene)pentanoic acid is CC(CCC(=O)O)=NNC(C)(C)C.
What is the InChIKey of 4-(tert-butylhydrazinylidene)pentanoic acid?
The InChIKey is XYFDMSBWKKDMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(5-6-8(12)13)10-11-9(2,3)4/h11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 4-(tert-butylhydrazinylidene)pentanoic acid?
4-(tert-butylhydrazinylidene)pentanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylhydrazinylidene)pentanoic acid is sourced from PubChem (CID 88817023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).