4-[dimethylamino(methyl)amino]-4-oxobutanoic acid

C7H14N2O3 — CID 71451542

IUPAC4-[dimethylamino(methyl)amino]-4-oxobutanoic acid
SMILESCN(C)N(C)C(=O)CCC(=O)O
InChIInChI=1S/C7H14N2O3/c1-8(2)9(3)6(10)4-5-7(11)12/h4-5H2,1-3H3,(H,11,12)
InChIKeyAEZXJPDCQOVSHX-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.21
Rot. Bonds4

About 4-[dimethylamino(methyl)amino]-4-oxobutanoic acid

4-[dimethylamino(methyl)amino]-4-oxobutanoic acid (PubChem CID 71451542) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-[dimethylamino(methyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[dimethylamino(methyl)amino]-4-oxobutanoic acid
PubChem CID71451542
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name4-[dimethylamino(methyl)amino]-4-oxobutanoic acid
SMILESCN(C)N(C)C(=O)CCC(=O)O
InChIInChI=1S/C7H14N2O3/c1-8(2)9(3)6(10)4-5-7(11)12/h4-5H2,1-3H3,(H,11,12)
InChIKeyAEZXJPDCQOVSHX-UHFFFAOYSA-N
XLogP-0.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethylamino(methyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[dimethylamino(methyl)amino]-4-oxobutanoic acid (CID 71451542) is 4-[dimethylamino(methyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[dimethylamino(methyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[dimethylamino(methyl)amino]-4-oxobutanoic acid is CN(C)N(C)C(=O)CCC(=O)O.
What is the InChIKey of 4-[dimethylamino(methyl)amino]-4-oxobutanoic acid?
The InChIKey is AEZXJPDCQOVSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-8(2)9(3)6(10)4-5-7(11)12/h4-5H2,1-3H3,(H,11,12).
What are the key properties of 4-[dimethylamino(methyl)amino]-4-oxobutanoic acid?
4-[dimethylamino(methyl)amino]-4-oxobutanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylamino(methyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 71451542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).