5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid

C10H10N2O4S — CID 93058416

IUPAC5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
SMILESO=C1CC[C@H](C(=O)Nc2ccc(C(=O)O)s2)N1
InChIInChI=1S/C10H10N2O4S/c13-7-3-1-5(11-7)9(14)12-8-4-2-6(17-8)10(15)16/h2,4-5H,1,3H2,(H,11,13)(H,12,14)(H,15,16)/t5-/m1/s1
InChIKeyAAHAJZANYABQMW-RXMQYKEDSA-N
MW254.27 g/mol
LogP0.66
Rot. Bonds3

About 5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid

5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid (PubChem CID 93058416) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
PubChem CID93058416
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
SMILESO=C1CC[C@H](C(=O)Nc2ccc(C(=O)O)s2)N1
InChIInChI=1S/C10H10N2O4S/c13-7-3-1-5(11-7)9(14)12-8-4-2-6(17-8)10(15)16/h2,4-5H,1,3H2,(H,11,13)(H,12,14)(H,15,16)/t5-/m1/s1
InChIKeyAAHAJZANYABQMW-RXMQYKEDSA-N
XLogP0.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43417240
5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid
CID 64767352
5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid
CID 80593515
5-[[(2S)-oxolane-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 93058485
3,6-dichloro-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 107048504
6-[(5-oxopyrrolidine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55248158
5-[(2-cyclopropylacetyl)amino]thiophene-2-carboxylic acid
CID 43474414
5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 55178259
2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 114039518
5-[(1,1-dioxothiane-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 113421829
3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid
CID 114039454
3-fluoro-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871800

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid (CID 93058416) is 5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid is O=C1CC[C@H](C(=O)Nc2ccc(C(=O)O)s2)N1.
What is the InChIKey of 5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid?
The InChIKey is AAHAJZANYABQMW-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H10N2O4S/c13-7-3-1-5(11-7)9(14)12-8-4-2-6(17-8)10(15)16/h2,4-5H,1,3H2,(H,11,13)(H,12,14)(H,15,16)/t5-/m1/s1.
What are the key properties of 5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid?
5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid has a molecular weight of 254.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 93058416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).