(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid

C15H21NO4 — CID 93049136

IUPAC(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
SMILESCCOc1ccc(OCCN2CCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-2-19-12-5-7-13(8-6-12)20-11-10-16-9-3-4-14(16)15(17)18/h5-8,14H,2-4,9-11H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyGRAPSEHHZGCNGN-AWEZNQCLSA-N
MW279.34 g/mol
LogP2.01
Rot. Bonds7

About (2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 93049136) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID93049136
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
SMILESCCOc1ccc(OCCN2CCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-2-19-12-5-7-13(8-6-12)20-11-10-16-9-3-4-14(16)15(17)18/h5-8,14H,2-4,9-11H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyGRAPSEHHZGCNGN-AWEZNQCLSA-N
XLogP2.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43442010
1-[2-(4-ethoxyphenoxy)ethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134031605
1-[3-(4-butoxyphenyl)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 82183436
(2S)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 167816033
(2S)-1-[2-(3-bromophenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049033
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid
CID 82224165
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
1-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750844
1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908675
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
(2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 818098
1-[3-(4-chlorophenoxy)propyl]azepane-2-carboxylic acid
CID 64563566

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid (CID 93049136) is (2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid is CCOc1ccc(OCCN2CCC[C@H]2C(=O)O)cc1.
What is the InChIKey of (2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GRAPSEHHZGCNGN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-19-12-5-7-13(8-6-12)20-11-10-16-9-3-4-14(16)15(17)18/h5-8,14H,2-4,9-11H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 93049136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).