(2S)-2-(dimethylamino)pentanedioic acid

C7H13NO4 — CID 12021025

IUPAC(2S)-2-(dimethylamino)pentanedioic acid
SMILESCN(C)[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-8(2)5(7(11)12)3-4-6(9)10/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyJCHFXGIXHDRBFU-YFKPBYRVSA-N
MW175.18 g/mol
LogP-0.13
Rot. Bonds5

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

(2S)-2-(dimethylamino)pentanedioic acid (PubChem CID 12021025) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)pentanedioic acid
PubChem CID12021025
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(2S)-2-(dimethylamino)pentanedioic acid
SMILESCN(C)[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-8(2)5(7(11)12)3-4-6(9)10/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyJCHFXGIXHDRBFU-YFKPBYRVSA-N
XLogP-0.13
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(dimethylamino)pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(dimethylamino)pentanedioic acid (CID 12021025) is (2S)-2-(dimethylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(dimethylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(dimethylamino)pentanedioic acid is CN(C)[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(dimethylamino)pentanedioic acid?
The InChIKey is JCHFXGIXHDRBFU-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO4/c1-8(2)5(7(11)12)3-4-6(9)10/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)pentanedioic acid?
(2S)-2-(dimethylamino)pentanedioic acid has a molecular weight of 175.18 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)pentanedioic acid is sourced from PubChem (CID 12021025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).