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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Related Compounds

3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid
CID 64896902
3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid
CID 64895078
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 61163636
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide
CID 107471656
3-amino-4-[2-methylpropyl(pentan-3-yl)amino]-4-oxobutanoic acid
CID 79490276
1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea
CID 82404869
3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide
CID 62879070
3-amino-4-[(2-amino-2-oxoethyl)-ethylamino]-4-oxobutanoic acid
CID 103102001
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
CID 54873716
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 64894953
1-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 65464903
2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
CID 103802734

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).