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

C11H22N2O4 — CID 62229917

IUPAC3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
SMILESCOCCN(CCCN(C)C)C(=O)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-12(2)5-4-6-13(7-8-17-3)10(14)9-11(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyZEXYUVBHZASJBI-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.11
Rot. Bonds9

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

3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid (PubChem CID 62229917) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
PubChem CID62229917
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
SMILESCOCCN(CCCN(C)C)C(=O)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-12(2)5-4-6-13(7-8-17-3)10(14)9-11(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyZEXYUVBHZASJBI-UHFFFAOYSA-N
XLogP-0.11
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
CID 38283609
2-amino-N-[3-(dimethylamino)propyl]-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81089239
3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 113307599
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 63678594
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 115459440
3-(dipentylamino)-3-oxopropanoic acid
CID 55049301
2-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 60981148
2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide
CID 54874249
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 113312882

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid (CID 62229917) is 3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid is COCCN(CCCN(C)C)C(=O)CC(=O)O.
What is the InChIKey of 3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid?
The InChIKey is ZEXYUVBHZASJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-12(2)5-4-6-13(7-8-17-3)10(14)9-11(15)16/h4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid?
3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 62229917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).