(2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate

C12H21NO6 — CID 20811154

IUPAC(2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate
SMILESO=C(CCN(CCO)CCO)OCC1CCOC1=O
InChIInChI=1S/C12H21NO6/c14-6-4-13(5-7-15)3-1-11(16)19-9-10-2-8-18-12(10)17/h10,14-15H,1-9H2
InChIKeyYWUZNAGGARQXKR-UHFFFAOYSA-N
MW275.30 g/mol
LogP-1.23
Rot. Bonds9

About (2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate

(2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate (PubChem CID 20811154) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate
PubChem CID20811154
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name(2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate
SMILESO=C(CCN(CCO)CCO)OCC1CCOC1=O
InChIInChI=1S/C12H21NO6/c14-6-4-13(5-7-15)3-1-11(16)19-9-10-2-8-18-12(10)17/h10,14-15H,1-9H2
InChIKeyYWUZNAGGARQXKR-UHFFFAOYSA-N
XLogP-1.23
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate?
The IUPAC name of (2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate (CID 20811154) is (2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate.
What is the SMILES notation for (2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate?
The canonical SMILES for (2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate is O=C(CCN(CCO)CCO)OCC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate?
The InChIKey is YWUZNAGGARQXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6/c14-6-4-13(5-7-15)3-1-11(16)19-9-10-2-8-18-12(10)17/h10,14-15H,1-9H2.
What are the key properties of (2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate?
(2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate has a molecular weight of 275.30 g/mol, XLogP of -1.23, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl)methyl 3-[bis(2-hydroxyethyl)amino]propanoate is sourced from PubChem (CID 20811154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).