2-[(dimethylamino)methylamino]pentanedioic acid

C8H16N2O4 — CID 175015429

IUPAC2-[(dimethylamino)methylamino]pentanedioic acid
SMILESCN(C)CNC(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-10(2)5-9-6(8(13)14)3-4-7(11)12/h6,9H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyFAHNNOAPAULIJC-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.59
Rot. Bonds7

About 2-[(dimethylamino)methylamino]pentanedioic acid

2-[(dimethylamino)methylamino]pentanedioic acid (PubChem CID 175015429) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[(dimethylamino)methylamino]pentanedioic acid.

Molecular Properties

Compound Name2-[(dimethylamino)methylamino]pentanedioic acid
PubChem CID175015429
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-[(dimethylamino)methylamino]pentanedioic acid
SMILESCN(C)CNC(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-10(2)5-9-6(8(13)14)3-4-7(11)12/h6,9H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyFAHNNOAPAULIJC-UHFFFAOYSA-N
XLogP-0.59
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,2,2-trifluoroethylamino)pentanedioic acid
CID 118468848
azane;2-(carboxymethylamino)pentanedioic acid;iron
CID 174849848
N,N-dimethylmethanamine;2-methylpentanedioic acid
CID 174605031
2-(1,1-dihydroxyethylamino)pentanedioic acid
CID 87961952
2-(4-carboxyhexylamino)pentanedioic acid
CID 160711240
(2S)-2-(3-deuteriopropylamino)pentanedioic acid
CID 141245026
2-[(3-methoxy-3-oxopropyl)amino]pentanedioic acid
CID 123728829
(2R)-2-acetamidopentanedioic acid
CID 161394708
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid
CID 82950117
(2S)-2-(15-carboxypentadecylamino)pentanedioic acid
CID 90970159
(2S)-2-(3-hydroxypropylamino)pentanedioic acid
CID 87223062
(2S)-2-(hexylamino)pentanedioic acid
CID 54122466

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methylamino]pentanedioic acid?
The IUPAC name of 2-[(dimethylamino)methylamino]pentanedioic acid (CID 175015429) is 2-[(dimethylamino)methylamino]pentanedioic acid.
What is the SMILES notation for 2-[(dimethylamino)methylamino]pentanedioic acid?
The canonical SMILES for 2-[(dimethylamino)methylamino]pentanedioic acid is CN(C)CNC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[(dimethylamino)methylamino]pentanedioic acid?
The InChIKey is FAHNNOAPAULIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-10(2)5-9-6(8(13)14)3-4-7(11)12/h6,9H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(dimethylamino)methylamino]pentanedioic acid?
2-[(dimethylamino)methylamino]pentanedioic acid has a molecular weight of 204.23 g/mol, XLogP of -0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methylamino]pentanedioic acid is sourced from PubChem (CID 175015429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).