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

C10H18ClNO4 — CID 22826863

IUPAC(2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCCOC(=O)CCN1CCC[C@H]1C(=O)O.Cl
InChIInChI=1S/C10H17NO4.ClH/c1-2-15-9(12)5-7-11-6-3-4-8(11)10(13)14;/h8H,2-7H2,1H3,(H,13,14);1H/t8-;/m0./s1
InChIKeySLWQYNQJOYANIT-QRPNPIFTSA-N
MW251.71 g/mol
LogP0.91
Rot. Bonds5

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

(2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 22826863) has the molecular formula C10H18ClNO4 and a molecular weight of 251.71 g/mol. Its IUPAC name is (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID22826863
Molecular FormulaC10H18ClNO4
Molecular Weight251.71 g/mol
Exact Mass251.09
IUPAC Name(2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCCOC(=O)CCN1CCC[C@H]1C(=O)O.Cl
InChIInChI=1S/C10H17NO4.ClH/c1-2-15-9(12)5-7-11-6-3-4-8(11)10(13)14;/h8H,2-7H2,1H3,(H,13,14);1H/t8-;/m0./s1
InChIKeySLWQYNQJOYANIT-QRPNPIFTSA-N
XLogP0.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 50.91
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;hydrochloride?
The IUPAC name of (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 22826863) is (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid;hydrochloride is CCOC(=O)CCN1CCC[C@H]1C(=O)O.Cl.
What is the InChIKey of (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is SLWQYNQJOYANIT-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H17NO4.ClH/c1-2-15-9(12)5-7-11-6-3-4-8(11)10(13)14;/h8H,2-7H2,1H3,(H,13,14);1H/t8-;/m0./s1.
What are the key properties of (2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid;hydrochloride?
(2S)-1-(3-ethoxy-3-oxopropyl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of 0.91, 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;hydrochloride is sourced from PubChem (CID 22826863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).