2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid

C10H19NO4 — CID 126560988

IUPAC2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(OC(=O)N(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-7(2)6-10(3,8(12)13)15-9(14)11(4)5/h7H,6H2,1-5H3,(H,12,13)
InChIKeyOTBPPMXVWFFGDK-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.57
Rot. Bonds4

About 2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid

2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid (PubChem CID 126560988) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid
PubChem CID126560988
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(OC(=O)N(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-7(2)6-10(3,8(12)13)15-9(14)11(4)5/h7H,6H2,1-5H3,(H,12,13)
InChIKeyOTBPPMXVWFFGDK-UHFFFAOYSA-N
XLogP1.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid?
The IUPAC name of 2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid (CID 126560988) is 2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid is CC(C)CC(C)(OC(=O)N(C)C)C(=O)O.
What is the InChIKey of 2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid?
The InChIKey is OTBPPMXVWFFGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(2)6-10(3,8(12)13)15-9(14)11(4)5/h7H,6H2,1-5H3,(H,12,13).
What are the key properties of 2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid?
2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 126560988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).