4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid

C12H21NO4 — CID 91507469

IUPAC4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid
SMILESCC(C)(C)CC(=NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-11(2,3)7-8(9(14)15)13-10(16)17-12(4,5)6/h7H2,1-6H3,(H,14,15)
InChIKeyGGDZFWPINABFPA-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.88
Rot. Bonds2

About 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid

4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid (PubChem CID 91507469) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid
PubChem CID91507469
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid
SMILESCC(C)(C)CC(=NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-11(2,3)7-8(9(14)15)13-10(16)17-12(4,5)6/h7H2,1-6H3,(H,14,15)
InChIKeyGGDZFWPINABFPA-UHFFFAOYSA-N
XLogP2.88
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid
CID 56631024
3,5-Dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]hexanoic acid
CID 90705597
5-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]hexanoic acid
CID 91095338
3-Cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoic acid
CID 91315120
Methyl 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate
CID 91512704
3-Butoxycarbonylimino-2-methylpentanoic acid
CID 123360547
3,3-Dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 147590893
4-[(2-Methylpropan-2-yl)oxycarbonylimino]pentanoic acid
CID 159246381

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid (CID 91507469) is 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid is CC(C)(C)CC(=NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid?
The InChIKey is GGDZFWPINABFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-11(2,3)7-8(9(14)15)13-10(16)17-12(4,5)6/h7H2,1-6H3,(H,14,15).
What are the key properties of 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid?
4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid is sourced from PubChem (CID 91507469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).