(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid

C12H15NO4S — CID 81126515

IUPAC(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid
SMILESCOc1ccsc1C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C12H15NO4S/c1-17-9-5-7-18-10(9)11(14)13-6-3-2-4-8(13)12(15)16/h5,7-8H,2-4,6H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyJEMPXVSHWMGSAE-QMMMGPOBSA-N
MW269.32 g/mol
LogP1.84
Rot. Bonds3

About (2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 81126515) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is (2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID81126515
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid
SMILESCOc1ccsc1C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C12H15NO4S/c1-17-9-5-7-18-10(9)11(14)13-6-3-2-4-8(13)12(15)16/h5,7-8H,2-4,6H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyJEMPXVSHWMGSAE-QMMMGPOBSA-N
XLogP1.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81117693
(2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid
CID 120537327
(2S)-1-(3-ethylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66264413
(2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79034454
[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 91660020
(4R)-3-(3-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81127529
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile
CID 81122408
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119631702
(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 42256587
[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 129430320
1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
CID 24689574
1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid
CID 65432630

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid (CID 81126515) is (2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid is COc1ccsc1C(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is JEMPXVSHWMGSAE-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-17-9-5-7-18-10(9)11(14)13-6-3-2-4-8(13)12(15)16/h5,7-8H,2-4,6H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 81126515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).