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

C8H17N3O3 — CID 64895450

IUPAC3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid
SMILESCN(C)CCNC(=O)C(N)CC(=O)O
InChIInChI=1S/C8H17N3O3/c1-11(2)4-3-10-8(14)6(9)5-7(12)13/h6H,3-5,9H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyGSOXIMPIQQHNNG-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.53
Rot. Bonds6

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

3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid (PubChem CID 64895450) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid
PubChem CID64895450
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid
SMILESCN(C)CCNC(=O)C(N)CC(=O)O
InChIInChI=1S/C8H17N3O3/c1-11(2)4-3-10-8(14)6(9)5-7(12)13/h6H,3-5,9H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyGSOXIMPIQQHNNG-UHFFFAOYSA-N
XLogP-1.53
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(1-Methyl-3-oxopiperazin-2-yl)acetic acid
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NoName_1308
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3-Acetylaminocarnitine
CID 127169
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H-Asp-Ala-Asp-Asp-OH
CID 10094442
Asp-Ala-Asp
CID 44271740
Ala-Asn
CID 1549441

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid (CID 64895450) is 3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid is CN(C)CCNC(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid?
The InChIKey is GSOXIMPIQQHNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-11(2)4-3-10-8(14)6(9)5-7(12)13/h6H,3-5,9H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid?
3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid has a molecular weight of 203.24 g/mol, XLogP of -1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 64895450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).