1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid

C16H18N2O6S — CID 22717277

IUPAC1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1ccc(C(=O)N2CCCC2C(=O)O)s1
InChIInChI=1S/C16H18N2O6S/c19-13(17-7-1-3-9(17)15(21)22)11-5-6-12(25-11)14(20)18-8-2-4-10(18)16(23)24/h5-6,9-10H,1-4,7-8H2,(H,21,22)(H,23,24)
InChIKeySIXDRKRMISINCQ-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.13
Rot. Bonds4

About 1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid

1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 22717277) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID22717277
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1ccc(C(=O)N2CCCC2C(=O)O)s1
InChIInChI=1S/C16H18N2O6S/c19-13(17-7-1-3-9(17)15(21)22)11-5-6-12(25-11)14(20)18-8-2-4-10(18)16(23)24/h5-6,9-10H,1-4,7-8H2,(H,21,22)(H,23,24)
InChIKeySIXDRKRMISINCQ-UHFFFAOYSA-N
XLogP1.13
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid
CID 130645542
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2S)-1-(2-benzyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 125148041
5-(2,3-dimethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 62122760
(2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 51888539
(2S)-1-(5-bromo-4-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79982145
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carboxylic acid
CID 170549555
1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43211084
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 22717277) is 1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1ccc(C(=O)N2CCCC2C(=O)O)s1.
What is the InChIKey of 1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SIXDRKRMISINCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c19-13(17-7-1-3-9(17)15(21)22)11-5-6-12(25-11)14(20)18-8-2-4-10(18)16(23)24/h5-6,9-10H,1-4,7-8H2,(H,21,22)(H,23,24).
What are the key properties of 1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid?
1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 366.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22717277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).