2-(dimethylamino)-2-methylpentanedioic acid

C8H15NO4 — CID 156535854

IUPAC2-(dimethylamino)-2-methylpentanedioic acid
SMILESCN(C)C(C)(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-8(7(12)13,9(2)3)5-4-6(10)11/h4-5H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyWQUDPSKKIIXVDM-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.26
Rot. Bonds5

About 2-(dimethylamino)-2-methylpentanedioic acid

2-(dimethylamino)-2-methylpentanedioic acid (PubChem CID 156535854) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methylpentanedioic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-methylpentanedioic acid
PubChem CID156535854
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-(dimethylamino)-2-methylpentanedioic acid
SMILESCN(C)C(C)(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-8(7(12)13,9(2)3)5-4-6(10)11/h4-5H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyWQUDPSKKIIXVDM-UHFFFAOYSA-N
XLogP0.26
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methylpentanedioic acid?
The IUPAC name of 2-(dimethylamino)-2-methylpentanedioic acid (CID 156535854) is 2-(dimethylamino)-2-methylpentanedioic acid.
What is the SMILES notation for 2-(dimethylamino)-2-methylpentanedioic acid?
The canonical SMILES for 2-(dimethylamino)-2-methylpentanedioic acid is CN(C)C(C)(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-(dimethylamino)-2-methylpentanedioic acid?
The InChIKey is WQUDPSKKIIXVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(7(12)13,9(2)3)5-4-6(10)11/h4-5H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-(dimethylamino)-2-methylpentanedioic acid?
2-(dimethylamino)-2-methylpentanedioic acid has a molecular weight of 189.21 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methylpentanedioic acid is sourced from PubChem (CID 156535854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).