2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid

C8H16N4O2 — CID 144957515

IUPAC2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid
SMILES[H]/N=N/N=C(N)CC(CC(C)C)C(=O)O
InChIInChI=1S/C8H16N4O2/c1-5(2)3-6(8(13)14)4-7(9)11-12-10/h5-6H,3-4H2,1-2H3,(H,13,14)(H3,9,10,11)
InChIKeyCFMGGXQMSAPHRV-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid

2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid (PubChem CID 144957515) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid
PubChem CID144957515
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid
SMILES[H]/N=N/N=C(N)CC(CC(C)C)C(=O)O
InChIInChI=1S/C8H16N4O2/c1-5(2)3-6(8(13)14)4-7(9)11-12-10/h5-6H,3-4H2,1-2H3,(H,13,14)(H3,9,10,11)
InChIKeyCFMGGXQMSAPHRV-UHFFFAOYSA-N
XLogP1.43
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115
alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene
CID 144957850
2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid
CID 14303036
(2R)-2-(fluoromethyl)-4-methylpentanoic acid
CID 129304901
(2R)-2-[2-(azocan-1-yl)-2-oxoethyl]-4-methylpentanoic acid
CID 54139015
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
(2R)-2-(2-methylpropyl)butanediamide
CID 22942178
2-[2-(diaminomethylideneamino)propyl]butanedioic acid
CID 118327981
2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine
CID 176521466
2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;ethane;4-(4-methylphenyl)piperidine
CID 144957512
5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid
CID 147314625

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid?
The IUPAC name of 2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid (CID 144957515) is 2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid is [H]/N=N/N=C(N)CC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid?
The InChIKey is CFMGGXQMSAPHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-5(2)3-6(8(13)14)4-7(9)11-12-10/h5-6H,3-4H2,1-2H3,(H,13,14)(H3,9,10,11).
What are the key properties of 2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid?
2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid has a molecular weight of 200.24 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid is sourced from PubChem (CID 144957515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).