2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid

C11H21NO4 — CID 63933195

IUPAC2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
SMILESCCOCC(O)CN1CCCC1CC(=O)O
InChIInChI=1S/C11H21NO4/c1-2-16-8-10(13)7-12-5-3-4-9(12)6-11(14)15/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyVOHQVNZCSNJLFU-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.32
Rot. Bonds7

About 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid

2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid (PubChem CID 63933195) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
PubChem CID63933195
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
SMILESCCOCC(O)CN1CCCC1CC(=O)O
InChIInChI=1S/C11H21NO4/c1-2-16-8-10(13)7-12-5-3-4-9(12)6-11(14)15/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyVOHQVNZCSNJLFU-UHFFFAOYSA-N
XLogP0.32
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
CID 63932803
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
CID 63931720
1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 115316928
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol
CID 63932604
(2S)-1-ethoxy-3-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 97329734
(2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 124856114
2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid
CID 106454643
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79544470
(2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95626124

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid (CID 63933195) is 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid is CCOCC(O)CN1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is VOHQVNZCSNJLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-2-16-8-10(13)7-12-5-3-4-9(12)6-11(14)15/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid?
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 231.29 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 63933195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).