2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid

C10H19NO2 — CID 20656175

IUPAC2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid
SMILESCC(C)=C(C)C(C)(C(=O)O)N(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)8(3)10(4,9(12)13)11(5)6/h1-6H3,(H,12,13)
InChIKeyGICSOONRZSNCEL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.75
Rot. Bonds3

About 2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid

2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid (PubChem CID 20656175) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid
PubChem CID20656175
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid
SMILESCC(C)=C(C)C(C)(C(=O)O)N(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)8(3)10(4,9(12)13)11(5)6/h1-6H3,(H,12,13)
InChIKeyGICSOONRZSNCEL-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 20656198
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2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
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CID 171378141
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CID 175079730
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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid?
The IUPAC name of 2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid (CID 20656175) is 2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid.
What is the SMILES notation for 2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid?
The canonical SMILES for 2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid is CC(C)=C(C)C(C)(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid?
The InChIKey is GICSOONRZSNCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)8(3)10(4,9(12)13)11(5)6/h1-6H3,(H,12,13).
What are the key properties of 2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid?
2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2,3,4-trimethylpent-3-enoic acid is sourced from PubChem (CID 20656175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).