5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid

C11H19NO6 — CID 102688956

IUPAC5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCOCCN(CCO)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C11H19NO6/c1-17-7-5-12(4-6-13)10(14)8-2-3-9(18-8)11(15)16/h8-9,13H,2-7H2,1H3,(H,15,16)
InChIKeyBJILJPNKPVVBEL-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.91
Rot. Bonds7

About 5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid

5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688956) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688956
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCOCCN(CCO)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C11H19NO6/c1-17-7-5-12(4-6-13)10(14)8-2-3-9(18-8)11(15)16/h8-9,13H,2-7H2,1H3,(H,15,16)
InChIKeyBJILJPNKPVVBEL-UHFFFAOYSA-N
XLogP-0.91
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic 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

5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688123
(2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944931
5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688859
2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 81324118
N-(2-hydroxyethyl)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 115772789
5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687708
5-[2-methoxyethyl(thiolan-3-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688134
(3R)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 104861614
5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid
CID 62298724
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 82951624
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide
CID 81327797
(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 120787980

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid (CID 102688956) is 5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid is COCCN(CCO)C(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is BJILJPNKPVVBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6/c1-17-7-5-12(4-6-13)10(14)8-2-3-9(18-8)11(15)16/h8-9,13H,2-7H2,1H3,(H,15,16).
What are the key properties of 5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid?
5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 261.27 g/mol, XLogP of -0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).