2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid

C11H19NO5 — CID 81324118

IUPAC2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CCC(C)O1
InChIInChI=1S/C11H19NO5/c1-8-3-4-9(17-8)11(15)12(5-6-16-2)7-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeySESPTPUKCMLAOC-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.11
Rot. Bonds6

About 2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid

2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid (PubChem CID 81324118) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
PubChem CID81324118
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CCC(C)O1
InChIInChI=1S/C11H19NO5/c1-8-3-4-9(17-8)11(15)12(5-6-16-2)7-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeySESPTPUKCMLAOC-UHFFFAOYSA-N
XLogP0.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide
CID 81327797
2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 120518081
5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688956
methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate
CID 80970947
2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid
CID 65157378
5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688123
2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid
CID 119348007
2-[2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl(2-methoxyethyl)amino]acetic acid
CID 79270937
(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 120787980
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid
CID 115596423
2-[2-methoxyethyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869714

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid (CID 81324118) is 2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)C1CCC(C)O1.
What is the InChIKey of 2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid?
The InChIKey is SESPTPUKCMLAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-8-3-4-9(17-8)11(15)12(5-6-16-2)7-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid?
2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid has a molecular weight of 245.27 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 81324118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).