4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid

C12H23N3O5 — CID 129046478

IUPAC4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
SMILESCOCCN(C)CCNC(=O)CNC(=O)CCC(=O)O
InChIInChI=1S/C12H23N3O5/c1-15(7-8-20-2)6-5-13-11(17)9-14-10(16)3-4-12(18)19/h3-9H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)
InChIKeyHTUSDWFLWXRNPB-UHFFFAOYSA-N
MW289.33 g/mol
LogP-1.34
Rot. Bonds11

About 4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid

4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid (PubChem CID 129046478) has the molecular formula C12H23N3O5 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
PubChem CID129046478
Molecular FormulaC12H23N3O5
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
SMILESCOCCN(C)CCNC(=O)CNC(=O)CCC(=O)O
InChIInChI=1S/C12H23N3O5/c1-15(7-8-20-2)6-5-13-11(17)9-14-10(16)3-4-12(18)19/h3-9H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)
InChIKeyHTUSDWFLWXRNPB-UHFFFAOYSA-N
XLogP-1.34
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid
CID 55126918
2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethoxy]acetic acid
CID 62842947
2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569874
3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid
CID 62851164
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide
CID 79271047
7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid
CID 62850101
2-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]propanamide
CID 115605846
4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-oxobut-2-enoic acid
CID 76950647
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide
CID 62848521
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid
CID 113405032

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid (CID 129046478) is 4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid is COCCN(C)CCNC(=O)CNC(=O)CCC(=O)O.
What is the InChIKey of 4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid?
The InChIKey is HTUSDWFLWXRNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5/c1-15(7-8-20-2)6-5-13-11(17)9-14-10(16)3-4-12(18)19/h3-9H2,1-2H3,(H,13,17)(H,14,16)(H,18,19).
What are the key properties of 4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid?
4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid has a molecular weight of 289.33 g/mol, XLogP of -1.34, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 129046478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).