1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

C11H13NO4S — CID 81117693

IUPAC1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccsc1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H13NO4S/c1-16-8-4-6-17-9(8)10(13)12-5-2-3-7(12)11(14)15/h4,6-7H,2-3,5H2,1H3,(H,14,15)
InChIKeyLDPBOXSOCAUTAA-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.45
Rot. Bonds3

About 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 81117693) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID81117693
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccsc1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H13NO4S/c1-16-8-4-6-17-9(8)10(13)12-5-2-3-7(12)11(14)15/h4,6-7H,2-3,5H2,1H3,(H,14,15)
InChIKeyLDPBOXSOCAUTAA-UHFFFAOYSA-N
XLogP1.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 81126515
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile
CID 81122408
(4R)-3-(3-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81127529
(2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid
CID 120537327
[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
(2S)-1-(3-ethylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66264413
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 124596288
[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 91660020
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119597034
[2-(3-bromopropyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129669

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 81117693) is 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is COc1ccsc1C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LDPBOXSOCAUTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-16-8-4-6-17-9(8)10(13)12-5-2-3-7(12)11(14)15/h4,6-7H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 255.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 81117693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).