3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid

C7H13NO4 — CID 62230101

IUPAC3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
SMILESCOCCN(C)C(=O)CC(=O)O
InChIInChI=1S/C7H13NO4/c1-8(3-4-12-2)6(9)5-7(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyRZFBKVMTKYXVNN-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.43
Rot. Bonds5

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

3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid (PubChem CID 62230101) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
PubChem CID62230101
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
SMILESCOCCN(C)C(=O)CC(=O)O
InChIInChI=1S/C7H13NO4/c1-8(3-4-12-2)6(9)5-7(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyRZFBKVMTKYXVNN-UHFFFAOYSA-N
XLogP-0.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
CID 62229917
3-chloro-N-(2-methoxyethyl)-N-methylpropanamide
CID 61040705
2-ethoxy-N-(2-methoxyethyl)-N-methylacetamide
CID 61073231
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid
CID 79282817
2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-N-methylacetamide
CID 61042213
N-(2-methoxyethyl)-N-methyl-2-(2-oxopropoxy)acetamide
CID 153486045
3-amino-N-(2-methoxyethyl)-N,3-dimethylbutanamide
CID 64676750
3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 61428085
5-chloro-N-(2-methoxyethyl)-N-methylpentanamide
CID 61040707
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61428231
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid (CID 62230101) is 3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid is COCCN(C)C(=O)CC(=O)O.
What is the InChIKey of 3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid?
The InChIKey is RZFBKVMTKYXVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-8(3-4-12-2)6(9)5-7(10)11/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid?
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid has a molecular weight of 175.18 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 62230101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).