(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid

C18H23NO5 — CID 125118825

IUPAC(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H23NO5/c20-17(19-9-2-1-8-16(19)18(21)22)13-5-3-6-14(11-13)24-12-15-7-4-10-23-15/h3,5-6,11,15-16H,1-2,4,7-10,12H2,(H,21,22)/t15-,16+/m0/s1
InChIKeyXGXGLDWIFRJBJT-JKSUJKDBSA-N
MW333.38 g/mol
LogP2.32
Rot. Bonds5

About (2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid

(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid (PubChem CID 125118825) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is (2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid
PubChem CID125118825
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H23NO5/c20-17(19-9-2-1-8-16(19)18(21)22)13-5-3-6-14(11-13)24-12-15-7-4-10-23-15/h3,5-6,11,15-16H,1-2,4,7-10,12H2,(H,21,22)/t15-,16+/m0/s1
InChIKeyXGXGLDWIFRJBJT-JKSUJKDBSA-N
XLogP2.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[3-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365942
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
CID 99639499
[(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124571660
[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948049
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
CID 120537427
(4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 33395478
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553843
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 97245326
4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 119216307
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 30470506

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid (CID 125118825) is (2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1.
What is the InChIKey of (2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid?
The InChIKey is XGXGLDWIFRJBJT-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23NO5/c20-17(19-9-2-1-8-16(19)18(21)22)13-5-3-6-14(11-13)24-12-15-7-4-10-23-15/h3,5-6,11,15-16H,1-2,4,7-10,12H2,(H,21,22)/t15-,16+/m0/s1.
What are the key properties of (2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid?
(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid has a molecular weight of 333.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 125118825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).