2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid

C11H21NO5 — CID 119198563

IUPAC2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid
SMILESCOCCOCCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C11H21NO5/c1-9(2)12(8-11(14)15)10(13)4-5-17-7-6-16-3/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyNUDTZPBNKYOGAD-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.36
Rot. Bonds9

About 2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid

2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid (PubChem CID 119198563) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid
PubChem CID119198563
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid
SMILESCOCCOCCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C11H21NO5/c1-9(2)12(8-11(14)15)10(13)4-5-17-7-6-16-3/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyNUDTZPBNKYOGAD-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
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

2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
CID 62590585
2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
CID 119954791
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid
CID 78980705
2-[[2-(2-methoxyethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 60831871
2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid
CID 60831185
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
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid
CID 119198254
2-[3-(2,6-dimethylphenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60831350
2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid
CID 61162403

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid (CID 119198563) is 2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid is COCCOCCC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid?
The InChIKey is NUDTZPBNKYOGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-9(2)12(8-11(14)15)10(13)4-5-17-7-6-16-3/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid?
2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid has a molecular weight of 247.29 g/mol, XLogP of 0.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).