(2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide

C17H22N2O4 — CID 95901252

IUPAC(2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C17H22N2O4/c18-16(20)15-4-1-9-19(15)17(21)12-5-7-13(8-6-12)23-11-14-3-2-10-22-14/h5-8,14-15H,1-4,9-11H2,(H2,18,20)/t14-,15+/m0/s1
InChIKeyXZKHXICMNHRYGQ-LSDHHAIUSA-N
MW318.37 g/mol
LogP1.33
Rot. Bonds5

About (2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide

(2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 95901252) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
PubChem CID95901252
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C17H22N2O4/c18-16(20)15-4-1-9-19(15)17(21)12-5-7-13(8-6-12)23-11-14-3-2-10-22-14/h5-8,14-15H,1-4,9-11H2,(H2,18,20)/t14-,15+/m0/s1
InChIKeyXZKHXICMNHRYGQ-LSDHHAIUSA-N
XLogP1.33
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
CID 95901253
4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 119216307
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
(2S)-1-[3-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365942
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2R)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]methanone
CID 51938502
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113571
(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid
CID 125118825
(2R)-1-[4-(cyclopropylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370683

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide (CID 95901252) is (2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of (2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is XZKHXICMNHRYGQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H22N2O4/c18-16(20)15-4-1-9-19(15)17(21)12-5-7-13(8-6-12)23-11-14-3-2-10-22-14/h5-8,14-15H,1-4,9-11H2,(H2,18,20)/t14-,15+/m0/s1.
What are the key properties of (2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide?
(2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95901252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).