4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid

C9H18N2O3 — CID 19895345

IUPAC4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid
SMILESCN(C)CCCNC(=O)CCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-11(2)7-3-6-10-8(12)4-5-9(13)14/h3-7H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyOXUYJSVCKRRKMR-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.08
Rot. Bonds7

About 4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid

4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid (PubChem CID 19895345) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid
PubChem CID19895345
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid
SMILESCN(C)CCCNC(=O)CCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-11(2)7-3-6-10-8(12)4-5-9(13)14/h3-7H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyOXUYJSVCKRRKMR-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid (CID 19895345) is 4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid is CN(C)CCCNC(=O)CCC(=O)O.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid?
The InChIKey is OXUYJSVCKRRKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-11(2)7-3-6-10-8(12)4-5-9(13)14/h3-7H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid?
4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]-4-oxobutanoic acid is sourced from PubChem (CID 19895345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).