3-tert-butylimino-2-methylpentanoic acid

C10H19NO2 — CID 91075062

IUPAC3-tert-butylimino-2-methylpentanoic acid
SMILESCC/C(=N\C(C)(C)C)C(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-6-8(7(2)9(12)13)11-10(3,4)5/h7H,6H2,1-5H3,(H,12,13)/b11-8+
InChIKeyBFRWGVIVXOGMAR-DHZHZOJOSA-N
MW185.27 g/mol
LogP2.36
Rot. Bonds3

About 3-tert-butylimino-2-methylpentanoic acid

3-tert-butylimino-2-methylpentanoic acid (PubChem CID 91075062) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-tert-butylimino-2-methylpentanoic acid.

Molecular Properties

Compound Name3-tert-butylimino-2-methylpentanoic acid
PubChem CID91075062
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-tert-butylimino-2-methylpentanoic acid
SMILESCC/C(=N\C(C)(C)C)C(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-6-8(7(2)9(12)13)11-10(3,4)5/h7H,6H2,1-5H3,(H,12,13)/b11-8+
InChIKeyBFRWGVIVXOGMAR-DHZHZOJOSA-N
XLogP2.36
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(C-methyl-N-pentylcarbonimidoyl)pentanoic acid
CID 23175551
2-(N-hexyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175591
2-(N-butyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175620
3-Tert-butylimino-2-ethylbutanoic acid
CID 53694208
2,2,3,3-Tetramethyl-4-methyliminopentanoic acid
CID 54297920
2-Methyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid
CID 56631024
3-Butylimino-2-ethylpentanoic acid
CID 57031173
3-Imino-2-methylpentanoic acid
CID 57075801
2-Methyl-3-methyliminopentanoic acid
CID 57232250
3-Butylimino-2-methylpentanoic acid
CID 57245045
3-Imino-4-methylpentanoic acid
CID 57286411
3-(C,N-dimethylcarbonimidoyl)-4-methyliminopentanoic acid
CID 90820100

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylimino-2-methylpentanoic acid?
The IUPAC name of 3-tert-butylimino-2-methylpentanoic acid (CID 91075062) is 3-tert-butylimino-2-methylpentanoic acid.
What is the SMILES notation for 3-tert-butylimino-2-methylpentanoic acid?
The canonical SMILES for 3-tert-butylimino-2-methylpentanoic acid is CC/C(=N\C(C)(C)C)C(C)C(=O)O.
What is the InChIKey of 3-tert-butylimino-2-methylpentanoic acid?
The InChIKey is BFRWGVIVXOGMAR-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-8(7(2)9(12)13)11-10(3,4)5/h7H,6H2,1-5H3,(H,12,13)/b11-8+.
What are the key properties of 3-tert-butylimino-2-methylpentanoic acid?
3-tert-butylimino-2-methylpentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylimino-2-methylpentanoic acid is sourced from PubChem (CID 91075062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).