2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid

C17H23NO6 — CID 120518081

IUPAC2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)C2CCC(C)O2)cc(OC)c1
InChIInChI=1S/C17H23NO6/c1-11-4-5-15(24-11)17(21)18(10-16(19)20)9-12-6-13(22-2)8-14(7-12)23-3/h6-8,11,15H,4-5,9-10H2,1-3H3,(H,19,20)
InChIKeySDYHKESSCMTKQR-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.68
Rot. Bonds7

About 2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid

2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid (PubChem CID 120518081) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
PubChem CID120518081
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)C2CCC(C)O2)cc(OC)c1
InChIInChI=1S/C17H23NO6/c1-11-4-5-15(24-11)17(21)18(10-16(19)20)9-12-6-13(22-2)8-14(7-12)23-3/h6-8,11,15H,4-5,9-10H2,1-3H3,(H,19,20)
InChIKeySDYHKESSCMTKQR-UHFFFAOYSA-N
XLogP1.68
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 81324118
2-[(3,5-dimethoxyphenyl)methyl-[3-(oxan-4-yloxy)propanoyl]amino]acetic acid
CID 120518117
2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid
CID 119197661
2-[(3,5-dimethoxyphenyl)methyl-[3-(oxolan-2-yl)propanoyl]amino]acetic acid
CID 119197613
2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
CID 119197506
2-[(3,5-dimethoxyphenyl)methyl-(furan-3-carbonyl)amino]acetic acid
CID 119197732
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
2-[(3,5-dimethoxyphenyl)methyl-pent-4-enoylamino]acetic acid
CID 119197558
2-[[2-(butanoylamino)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197704
2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 120686230
2-[(3,5-dimethoxyphenyl)methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 119197598
2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 119197706

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid (CID 120518081) is 2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid is COc1cc(CN(CC(=O)O)C(=O)C2CCC(C)O2)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid?
The InChIKey is SDYHKESSCMTKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-11-4-5-15(24-11)17(21)18(10-16(19)20)9-12-6-13(22-2)8-14(7-12)23-3/h6-8,11,15H,4-5,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid?
2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid has a molecular weight of 337.37 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 120518081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).