2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid

C11H13N3O5S — CID 63114300

IUPAC2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid
SMILESNC(=O)C1CC(O)CN1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H13N3O5S/c12-8(16)7-3-5(15)4-14(7)11(19)13-9-6(10(17)18)1-2-20-9/h1-2,5,7,15H,3-4H2,(H2,12,16)(H,13,19)(H,17,18)
InChIKeyBJJBJPMDERBXNS-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.10
Rot. Bonds3

About 2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid

2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 63114300) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID63114300
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid
SMILESNC(=O)C1CC(O)CN1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H13N3O5S/c12-8(16)7-3-5(15)4-14(7)11(19)13-9-6(10(17)18)1-2-20-9/h1-2,5,7,15H,3-4H2,(H2,12,16)(H,13,19)(H,17,18)
InChIKeyBJJBJPMDERBXNS-UHFFFAOYSA-N
XLogP-0.10
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid (CID 63114300) is 2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid is NC(=O)C1CC(O)CN1C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is BJJBJPMDERBXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c12-8(16)7-3-5(15)4-14(7)11(19)13-9-6(10(17)18)1-2-20-9/h1-2,5,7,15H,3-4H2,(H2,12,16)(H,13,19)(H,17,18).
What are the key properties of 2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of -0.10, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).