2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide

C11H22N2O3 — CID 160791238

IUPAC2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide
SMILESC=CC(N)=O.CCCC(C)(C(=O)O)N(C)C
InChIInChI=1S/C8H17NO2.C3H5NO/c1-5-6-8(2,7(10)11)9(3)4;1-2-3(4)5/h5-6H2,1-4H3,(H,10,11);2H,1H2,(H2,4,5)
InChIKeySBVSQAWJJQOREC-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.85
Rot. Bonds5

About 2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide

2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide (PubChem CID 160791238) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide
PubChem CID160791238
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide
SMILESC=CC(N)=O.CCCC(C)(C(=O)O)N(C)C
InChIInChI=1S/C8H17NO2.C3H5NO/c1-5-6-8(2,7(10)11)9(3)4;1-2-3(4)5/h5-6H2,1-4H3,(H,10,11);2H,1H2,(H2,4,5)
InChIKeySBVSQAWJJQOREC-UHFFFAOYSA-N
XLogP0.85
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide?
The IUPAC name of 2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide (CID 160791238) is 2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide.
What is the SMILES notation for 2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide?
The canonical SMILES for 2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide is C=CC(N)=O.CCCC(C)(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide?
The InChIKey is SBVSQAWJJQOREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C3H5NO/c1-5-6-8(2,7(10)11)9(3)4;1-2-3(4)5/h5-6H2,1-4H3,(H,10,11);2H,1H2,(H2,4,5).
What are the key properties of 2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide?
2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide has a molecular weight of 230.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methylpentanoic acid;prop-2-enamide is sourced from PubChem (CID 160791238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).