(2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid

C9H19N3O2 — CID 144957650

IUPAC(2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid
SMILESCCC[C@@H](CC(C)(C)/N=N/N)C(=O)O
InChIInChI=1S/C9H19N3O2/c1-4-5-7(8(13)14)6-9(2,3)11-12-10/h7H,4-6H2,1-3H3,(H2,10,11)(H,13,14)/t7-/m0/s1
InChIKeyVESSIPWPGGZIRT-ZETCQYMHSA-N
MW201.27 g/mol
LogP1.98
Rot. Bonds6

About (2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid

(2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid (PubChem CID 144957650) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid.

Molecular Properties

Compound Name(2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid
PubChem CID144957650
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid
SMILESCCC[C@@H](CC(C)(C)/N=N/N)C(=O)O
InChIInChI=1S/C9H19N3O2/c1-4-5-7(8(13)14)6-9(2,3)11-12-10/h7H,4-6H2,1-3H3,(H2,10,11)(H,13,14)/t7-/m0/s1
InChIKeyVESSIPWPGGZIRT-ZETCQYMHSA-N
XLogP1.98
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethylpentanoic acid
CID 158993232
5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid
CID 22900782
2-ethylpentanoic acid
CID 30020
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
2-(2,2-dimethylpropyl)undecanoic acid
CID 20558318
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid
CID 15940218
2-(2-tert-butylsulfonylethyl)pentanoic acid
CID 106727777
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
2-propylheptadecanoic acid
CID 22251985
2-ethyl-6-propylheptanedioic acid
CID 154140899

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid?
The IUPAC name of (2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid (CID 144957650) is (2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid.
What is the SMILES notation for (2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid?
The canonical SMILES for (2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid is CCC[C@@H](CC(C)(C)/N=N/N)C(=O)O.
What is the InChIKey of (2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid?
The InChIKey is VESSIPWPGGZIRT-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-5-7(8(13)14)6-9(2,3)11-12-10/h7H,4-6H2,1-3H3,(H2,10,11)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid?
(2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid is sourced from PubChem (CID 144957650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).