3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid

C10H19NO4 — CID 82329181

IUPAC3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid
SMILESCOCCN(CC(C)=O)CC(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-8(10(13)14)6-11(4-5-15-3)7-9(2)12/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyHILJWCIAUNDURX-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.24
Rot. Bonds8

About 3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid

3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid (PubChem CID 82329181) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid
PubChem CID82329181
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid
SMILESCOCCN(CC(C)=O)CC(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-8(10(13)14)6-11(4-5-15-3)7-9(2)12/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyHILJWCIAUNDURX-UHFFFAOYSA-N
XLogP0.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249
2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid
CID 82329209
3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
CID 82327474
3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid
CID 82329885
1-[2-methoxyethyl(propyl)amino]propan-2-one
CID 20709816
3-[ethyl(4-methoxybutyl)amino]-2-methylpropanoic acid
CID 104648447
methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
CID 60649296
3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid
CID 82330702
3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82326833
1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one
CID 146611862
2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid
CID 64580938
methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
CID 54989932

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid (CID 82329181) is 3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid is COCCN(CC(C)=O)CC(C)C(=O)O.
What is the InChIKey of 3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid?
The InChIKey is HILJWCIAUNDURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(10(13)14)6-11(4-5-15-3)7-9(2)12/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid?
3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82329181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).