(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid

C14H17NO4 — CID 28819596

IUPAC(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESCCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c1-2-19-12-8-4-3-6-10(12)13(16)15-9-5-7-11(15)14(17)18/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyHOPJSQSAWCEOSQ-LLVKDONJSA-N
MW263.29 g/mol
LogP1.77
Rot. Bonds4

About (2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 28819596) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID28819596
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESCCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c1-2-19-12-8-4-3-6-10(12)13(16)15-9-5-7-11(15)14(17)18/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyHOPJSQSAWCEOSQ-LLVKDONJSA-N
XLogP1.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
CID 43355997
(2R)-1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
CID 79035089
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
(2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 51953533
1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 60592901
[2-(3-bromopropyl)pyrrolidin-1-yl]-(2-ethoxyphenyl)methanone
CID 80675629
1-(2,3-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 24699096
(2S)-1-(3-ethoxy-4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 61137975
(2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 818098
[2-(2-bromoethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 80665458
(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
CID 124683442
(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249422

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid (CID 28819596) is (2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid is CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HOPJSQSAWCEOSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-19-12-8-4-3-6-10(12)13(16)15-9-5-7-11(15)14(17)18/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28819596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).