2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid

C10H17NO5 — CID 61328606

IUPAC2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid
SMILESCC(NC(=O)COCC(=O)O)C1CCCO1
InChIInChI=1S/C10H17NO5/c1-7(8-3-2-4-16-8)11-9(12)5-15-6-10(13)14/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyCYFRVQMSVVEIAL-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.23
Rot. Bonds6

About 2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid

2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid (PubChem CID 61328606) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid
PubChem CID61328606
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid
SMILESCC(NC(=O)COCC(=O)O)C1CCCO1
InChIInChI=1S/C10H17NO5/c1-7(8-3-2-4-16-8)11-9(12)5-15-6-10(13)14/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyCYFRVQMSVVEIAL-UHFFFAOYSA-N
XLogP-0.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid (CID 61328606) is 2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid is CC(NC(=O)COCC(=O)O)C1CCCO1.
What is the InChIKey of 2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid?
The InChIKey is CYFRVQMSVVEIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-7(8-3-2-4-16-8)11-9(12)5-15-6-10(13)14/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid?
2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid has a molecular weight of 231.25 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethoxy]acetic acid is sourced from PubChem (CID 61328606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).