(2S)-2-(dimethylamino)-2-methylpentanedioic acid

C8H15NO4 — CID 149435304

IUPAC(2S)-2-(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)/t8-/m0/s1
InChIKeyWQUDPSKKIIXVDM-QMMMGPOBSA-N
MW189.21 g/mol
LogP0.26
Rot. Bonds5

About (2S)-2-(dimethylamino)-2-methylpentanedioic acid

(2S)-2-(dimethylamino)-2-methylpentanedioic acid (PubChem CID 149435304) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-methylpentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-methylpentanedioic acid
PubChem CID149435304
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(2S)-2-(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)/t8-/m0/s1
InChIKeyWQUDPSKKIIXVDM-QMMMGPOBSA-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 (2S)-2-(dimethylamino)-2-methylpentanedioic acid?
The IUPAC name of (2S)-2-(dimethylamino)-2-methylpentanedioic acid (CID 149435304) is (2S)-2-(dimethylamino)-2-methylpentanedioic acid.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-methylpentanedioic acid?
The canonical SMILES for (2S)-2-(dimethylamino)-2-methylpentanedioic acid is CN(C)[C@@](C)(CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(dimethylamino)-2-methylpentanedioic acid?
The InChIKey is WQUDPSKKIIXVDM-QMMMGPOBSA-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)/t8-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-methylpentanedioic acid?
(2S)-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 (2S)-2-(dimethylamino)-2-methylpentanedioic acid is sourced from PubChem (CID 149435304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).