5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid

C9H17NO4 — CID 121437591

IUPAC5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid
SMILESCOCCN(C)CC(=O)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-10(5-6-14-2)7-8(11)3-4-9(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyGFGKWQUPOVDVEU-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.00
Rot. Bonds8

About 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid

5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid (PubChem CID 121437591) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid
PubChem CID121437591
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid
SMILESCOCCN(C)CC(=O)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-10(5-6-14-2)7-8(11)3-4-9(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyGFGKWQUPOVDVEU-UHFFFAOYSA-N
XLogP-0.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid?
The IUPAC name of 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid (CID 121437591) is 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid.
What is the SMILES notation for 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid?
The canonical SMILES for 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid is COCCN(C)CC(=O)CCC(=O)O.
What is the InChIKey of 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid?
The InChIKey is GFGKWQUPOVDVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-10(5-6-14-2)7-8(11)3-4-9(12)13/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid?
5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoic acid is sourced from PubChem (CID 121437591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).