(2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid

C13H17NO4S — CID 120537327

IUPAC(2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid
SMILESCOCc1ccsc1C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-18-8-9-5-7-19-11(9)12(15)14-6-3-2-4-10(14)13(16)17/h5,7,10H,2-4,6,8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyJZWBILMDALBXTA-SNVBAGLBSA-N
MW283.35 g/mol
LogP1.97
Rot. Bonds4

About (2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid

(2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid (PubChem CID 120537327) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is (2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid
PubChem CID120537327
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name(2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid
SMILESCOCc1ccsc1C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-18-8-9-5-7-19-11(9)12(15)14-6-3-2-4-10(14)13(16)17/h5,7,10H,2-4,6,8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyJZWBILMDALBXTA-SNVBAGLBSA-N
XLogP1.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-ethylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66264413
(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 81126515
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81117693
(2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79034454
4-methoxy-1-[3-(methoxymethyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 120534347
(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365625
1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636453
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 75448549
methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 80640905
1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 119175727

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid (CID 120537327) is (2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid is COCc1ccsc1C(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is JZWBILMDALBXTA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-18-8-9-5-7-19-11(9)12(15)14-6-3-2-4-10(14)13(16)17/h5,7,10H,2-4,6,8H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid?
(2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 120537327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).