2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid

C15H21NO5 — CID 119189812

IUPAC2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C(C)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO5/c1-11(12-4-6-13(21-3)7-5-12)15(19)16(8-9-20-2)10-14(17)18/h4-7,11H,8-10H2,1-3H3,(H,17,18)
InChIKeyMSNBBXIUDDSRFV-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.36
Rot. Bonds8

About 2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid

2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid (PubChem CID 119189812) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid
PubChem CID119189812
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C(C)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO5/c1-11(12-4-6-13(21-3)7-5-12)15(19)16(8-9-20-2)10-14(17)18/h4-7,11H,8-10H2,1-3H3,(H,17,18)
InChIKeyMSNBBXIUDDSRFV-UHFFFAOYSA-N
XLogP1.36
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119348002
(2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
CID 100694823
2-[[(2R)-2-amino-2-phenylacetyl]-(2-methoxyethyl)amino]acetic acid
CID 79272062
N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
CID 119039574
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120686488
3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228886
2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid
CID 61013285
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)propanamide
CID 111596140
2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
CID 79269846
2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid
CID 60833895
2-[1-(2-hydroxy-5-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067057

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid (CID 119189812) is 2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)C(C)c1ccc(OC)cc1.
What is the InChIKey of 2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid?
The InChIKey is MSNBBXIUDDSRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-11(12-4-6-13(21-3)7-5-12)15(19)16(8-9-20-2)10-14(17)18/h4-7,11H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid?
2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid is sourced from PubChem (CID 119189812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).