(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid

C16H15N3O4 — CID 119366265

IUPAC(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1cccc(Oc2cnccn2)c1
InChIInChI=1S/C16H15N3O4/c20-15(19-8-2-5-13(19)16(21)22)11-3-1-4-12(9-11)23-14-10-17-6-7-18-14/h1,3-4,6-7,9-10,13H,2,5,8H2,(H,21,22)/t13-/m0/s1
InChIKeyWPRYBURJRXVWKR-ZDUSSCGKSA-N
MW313.31 g/mol
LogP1.96
Rot. Bonds4

About (2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 119366265) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is (2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID119366265
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1cccc(Oc2cnccn2)c1
InChIInChI=1S/C16H15N3O4/c20-15(19-8-2-5-13(19)16(21)22)11-3-1-4-12(9-11)23-14-10-17-6-7-18-14/h1,3-4,6-7,9-10,13H,2,5,8H2,(H,21,22)/t13-/m0/s1
InChIKeyWPRYBURJRXVWKR-ZDUSSCGKSA-N
XLogP1.96
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
CID 126783382
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553843
(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 78922398
(2-methylpiperazin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone
CID 119471763
(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride
CID 119482802
(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
CID 99639499
1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 86929912
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
(2S)-1-[3-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365942
(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
CID 120537427
N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide
CID 134033098

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid (CID 119366265) is (2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1cccc(Oc2cnccn2)c1.
What is the InChIKey of (2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WPRYBURJRXVWKR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-15(19-8-2-5-13(19)16(21)22)11-3-1-4-12(9-11)23-14-10-17-6-7-18-14/h1,3-4,6-7,9-10,13H,2,5,8H2,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 313.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119366265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).