2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid

C13H23NO5 — CID 65157378

IUPAC2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C13H23NO5/c1-8-9(2)19-10(3)12(8)13(17)14(5-6-18-4)7-11(15)16/h8-10,12H,5-7H2,1-4H3,(H,15,16)
InChIKeyOZDLMDHVEPTWFQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.61
Rot. Bonds6

About 2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid

2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid (PubChem CID 65157378) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid
PubChem CID65157378
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C13H23NO5/c1-8-9(2)19-10(3)12(8)13(17)14(5-6-18-4)7-11(15)16/h8-10,12H,5-7H2,1-4H3,(H,15,16)
InChIKeyOZDLMDHVEPTWFQ-UHFFFAOYSA-N
XLogP0.61
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,2,2-Trifluoroethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid
CID 79257895
2-[(2-Methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79759960
2-[(2-Ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 114105272
2-[(5-Methyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 114824514
2-[2-Methoxyethyl(oxolane-3-carbonyl)amino]acetic acid
CID 61537000
2-[2-Methylpropyl-[2-(oxolan-2-yl)acetyl]amino]acetic acid
CID 62032458
2-[2-Methoxyethyl-[2-(oxolan-2-yl)acetyl]amino]acetic acid
CID 62032652
N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
CID 65155810
N-ethyl-N-(2-hydroxyethyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155912
N-(2-hydroxyethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65155913
4-Methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 65156804
2-[Cyclopentyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid
CID 65156840

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid (CID 65157378) is 2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)C1C(C)OC(C)C1C.
What is the InChIKey of 2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid?
The InChIKey is OZDLMDHVEPTWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-8-9(2)19-10(3)12(8)13(17)14(5-6-18-4)7-11(15)16/h8-10,12H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid?
2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 65157378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).