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

C11H21NO4 — CID 114897540

IUPAC3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
SMILESCOCCN(CC(C)C)C(=O)C(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-8(2)7-12(5-6-16-4)10(13)9(3)11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyZSHRBJAPWBVUDV-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.84
Rot. Bonds7

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

3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid (PubChem CID 114897540) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
PubChem CID114897540
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
SMILESCOCCN(CC(C)C)C(=O)C(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-8(2)7-12(5-6-16-4)10(13)9(3)11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyZSHRBJAPWBVUDV-UHFFFAOYSA-N
XLogP0.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.84
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-[2-methoxyethyl(3-methoxypropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114896858
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)butanamide
CID 78854118
3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897564
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162971
2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 62473959
N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
CID 79886466
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313
(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 80756983
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 54985894
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78873737
2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 114328153

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid (CID 114897540) is 3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid is COCCN(CC(C)C)C(=O)C(C)C(=O)O.
What is the InChIKey of 3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid?
The InChIKey is ZSHRBJAPWBVUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)7-12(5-6-16-4)10(13)9(3)11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid?
3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 114897540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).