3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid

C12H25N3O3 — CID 64896709

IUPAC3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid
SMILESCC(C)CN(CCN(C)C)C(=O)C(N)CC(=O)O
InChIInChI=1S/C12H25N3O3/c1-9(2)8-15(6-5-14(3)4)12(18)10(13)7-11(16)17/h9-10H,5-8,13H2,1-4H3,(H,16,17)
InChIKeyYZSACAGOIGAZAR-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.17
Rot. Bonds8

About 3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid

3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid (PubChem CID 64896709) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid
PubChem CID64896709
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid
SMILESCC(C)CN(CCN(C)C)C(=O)C(N)CC(=O)O
InChIInChI=1S/C12H25N3O3/c1-9(2)8-15(6-5-14(3)4)12(18)10(13)7-11(16)17/h9-10H,5-8,13H2,1-4H3,(H,16,17)
InChIKeyYZSACAGOIGAZAR-UHFFFAOYSA-N
XLogP-0.17
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid (CID 64896709) is 3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid is CC(C)CN(CCN(C)C)C(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid?
The InChIKey is YZSACAGOIGAZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-9(2)8-15(6-5-14(3)4)12(18)10(13)7-11(16)17/h9-10H,5-8,13H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid?
3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid has a molecular weight of 259.35 g/mol, XLogP of -0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 64896709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).