5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid

C10H19NO4 — CID 62300641

IUPAC5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCCN(CCO)CC1CCC(C(=O)O)O1
InChIInChI=1S/C10H19NO4/c1-2-11(5-6-12)7-8-3-4-9(15-8)10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyLRVCNNCBMURTCY-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.07
Rot. Bonds6

About 5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid

5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 62300641) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID62300641
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCCN(CCO)CC1CCC(C(=O)O)O1
InChIInChI=1S/C10H19NO4/c1-2-11(5-6-12)7-8-3-4-9(15-8)10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyLRVCNNCBMURTCY-UHFFFAOYSA-N
XLogP-0.07
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid (CID 62300641) is 5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid is CCN(CCO)CC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is LRVCNNCBMURTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-11(5-6-12)7-8-3-4-9(15-8)10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 217.26 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62300641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).