2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid

C18H24N2O6 — CID 125131613

IUPAC2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N[C@@H]2CCN(C(C)C)C2=O)ccc1OCC(=O)O
InChIInChI=1S/C18H24N2O6/c1-4-25-15-9-12(5-6-14(15)26-10-16(21)22)17(23)19-13-7-8-20(11(2)3)18(13)24/h5-6,9,11,13H,4,7-8,10H2,1-3H3,(H,19,23)(H,21,22)/t13-/m1/s1
InChIKeyJARXVGWUMXBGEA-CYBMUJFWSA-N
MW364.40 g/mol
LogP1.29
Rot. Bonds8

About 2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid (PubChem CID 125131613) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
PubChem CID125131613
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N[C@@H]2CCN(C(C)C)C2=O)ccc1OCC(=O)O
InChIInChI=1S/C18H24N2O6/c1-4-25-15-9-12(5-6-14(15)26-10-16(21)22)17(23)19-13-7-8-20(11(2)3)18(13)24/h5-6,9,11,13H,4,7-8,10H2,1-3H3,(H,19,23)(H,21,22)/t13-/m1/s1
InChIKeyJARXVGWUMXBGEA-CYBMUJFWSA-N
XLogP1.29
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid (CID 125131613) is 2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)N[C@@H]2CCN(C(C)C)C2=O)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid?
The InChIKey is JARXVGWUMXBGEA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-4-25-15-9-12(5-6-14(15)26-10-16(21)22)17(23)19-13-7-8-20(11(2)3)18(13)24/h5-6,9,11,13H,4,7-8,10H2,1-3H3,(H,19,23)(H,21,22)/t13-/m1/s1.
What are the key properties of 2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid has a molecular weight of 364.40 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 125131613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).