3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid

C11H21NO5 — CID 119228574

IUPAC3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCOCCOCCC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H21NO5/c1-9(11(14)15)8-12(2)10(13)4-5-17-7-6-16-3/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyWUBBHGMJEVXZBH-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.22
Rot. Bonds9

About 3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid

3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid (PubChem CID 119228574) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid
PubChem CID119228574
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCOCCOCCC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H21NO5/c1-9(11(14)15)8-12(2)10(13)4-5-17-7-6-16-3/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyWUBBHGMJEVXZBH-UHFFFAOYSA-N
XLogP0.22
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid
CID 115731246
2-methyl-3-[methyl(4-prop-2-enoxybutanoyl)amino]propanoic acid
CID 119228467
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
2-methyl-3-[methyl(nonanoyl)amino]propanoic acid
CID 55008354
N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide
CID 79543922
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one
CID 176767842
3-[5,5-dimethylhexanoyl(methyl)amino]-2-methylpropanoic acid
CID 119228445
2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid
CID 119198563
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 114032010
2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
CID 119954791
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid (CID 119228574) is 3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid is COCCOCCC(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is WUBBHGMJEVXZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-9(11(14)15)8-12(2)10(13)4-5-17-7-6-16-3/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid?
3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 247.29 g/mol, XLogP of 0.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119228574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).