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

C12H24N2O4 — CID 54876287

IUPAC4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
SMILESCOCCN(CCCN(C)C)C(=O)CCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-13(2)7-4-8-14(9-10-18-3)11(15)5-6-12(16)17/h4-10H2,1-3H3,(H,16,17)
InChIKeyBCQVXDNLTUYFAK-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.28
Rot. Bonds10

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

4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid (PubChem CID 54876287) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
PubChem CID54876287
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
SMILESCOCCN(CCCN(C)C)C(=O)CCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-13(2)7-4-8-14(9-10-18-3)11(15)5-6-12(16)17/h4-10H2,1-3H3,(H,16,17)
InChIKeyBCQVXDNLTUYFAK-UHFFFAOYSA-N
XLogP0.28
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
CID 62229917
2-amino-N-[3-(dimethylamino)propyl]-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81089239
3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
CID 82330232
2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189683
3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 113307599
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid
CID 46899763
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 63678594
N',N'-bis[3-(dimethylamino)propyl]pentanediamide
CID 141463715
4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid
CID 53380013
1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
CID 38283609
3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid
CID 82325696

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid (CID 54876287) is 4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid is COCCN(CCCN(C)C)C(=O)CCC(=O)O.
What is the InChIKey of 4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid?
The InChIKey is BCQVXDNLTUYFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-13(2)7-4-8-14(9-10-18-3)11(15)5-6-12(16)17/h4-10H2,1-3H3,(H,16,17).
What are the key properties of 4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid?
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid has a molecular weight of 260.33 g/mol, XLogP of 0.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 54876287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).