(2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid

C10H17NO4 — CID 22826862

IUPAC(2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid
SMILESCCOC(=O)CCN1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H17NO4/c1-2-15-9(12)5-7-11-6-3-4-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyPGQAPHUKSRYVLO-QMMMGPOBSA-N
MW215.25 g/mol
LogP0.49
Rot. Bonds5

About (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid

(2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid (PubChem CID 22826862) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid
PubChem CID22826862
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid
SMILESCCOC(=O)CCN1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H17NO4/c1-2-15-9(12)5-7-11-6-3-4-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyPGQAPHUKSRYVLO-QMMMGPOBSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid (CID 22826862) is (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid is CCOC(=O)CCN1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PGQAPHUKSRYVLO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-15-9(12)5-7-11-6-3-4-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22826862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).