(2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid

C17H22N2O4 — CID 129466790

IUPAC(2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid
SMILESCOc1ccccc1N1CC[C@H](N2CCCC[C@@H]2C(=O)O)C1=O
InChIInChI=1S/C17H22N2O4/c1-23-15-8-3-2-6-12(15)19-11-9-13(16(19)20)18-10-5-4-7-14(18)17(21)22/h2-3,6,8,13-14H,4-5,7,9-11H2,1H3,(H,21,22)/t13-,14+/m0/s1
InChIKeyCYOXPFZAHWDMKY-UONOGXRCSA-N
MW318.37 g/mol
LogP1.74
Rot. Bonds4

About (2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid

(2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid (PubChem CID 129466790) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid
PubChem CID129466790
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid
SMILESCOc1ccccc1N1CC[C@H](N2CCCC[C@@H]2C(=O)O)C1=O
InChIInChI=1S/C17H22N2O4/c1-23-15-8-3-2-6-12(15)19-11-9-13(16(19)20)18-10-5-4-7-14(18)17(21)22/h2-3,6,8,13-14H,4-5,7,9-11H2,1H3,(H,21,22)/t13-,14+/m0/s1
InChIKeyCYOXPFZAHWDMKY-UONOGXRCSA-N
XLogP1.74
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
(3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one
CID 125450904
(5R,7aR)-2-(2-methoxyphenyl)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-5-carboxylic acid
CID 99864993
2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid
CID 122100552
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
1-[(2-methoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3880673
3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 154746464
1-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 16583901
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168
1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224104

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid (CID 129466790) is (2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid is COc1ccccc1N1CC[C@H](N2CCCC[C@@H]2C(=O)O)C1=O.
What is the InChIKey of (2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid?
The InChIKey is CYOXPFZAHWDMKY-UONOGXRCSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-23-15-8-3-2-6-12(15)19-11-9-13(16(19)20)18-10-5-4-7-14(18)17(21)22/h2-3,6,8,13-14H,4-5,7,9-11H2,1H3,(H,21,22)/t13-,14+/m0/s1.
What are the key properties of (2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid?
(2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid has a molecular weight of 318.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 129466790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).