(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid

C10H11ClN2O3S — CID 69123830

IUPAC(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
SMILESO=C(NC1CN[C@H](C(=O)O)C1)c1ccc(Cl)s1
InChIInChI=1S/C10H11ClN2O3S/c11-8-2-1-7(17-8)9(14)13-5-3-6(10(15)16)12-4-5/h1-2,5-6,12H,3-4H2,(H,13,14)(H,15,16)/t5?,6-/m0/s1
InChIKeyXGMZYNSUYZKNEA-GDVGLLTNSA-N
MW274.73 g/mol
LogP0.95
Rot. Bonds3

About (2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid

(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid (PubChem CID 69123830) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is (2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
PubChem CID69123830
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
SMILESO=C(NC1CN[C@H](C(=O)O)C1)c1ccc(Cl)s1
InChIInChI=1S/C10H11ClN2O3S/c11-8-2-1-7(17-8)9(14)13-5-3-6(10(15)16)12-4-5/h1-2,5-6,12H,3-4H2,(H,13,14)(H,15,16)/t5?,6-/m0/s1
InChIKeyXGMZYNSUYZKNEA-GDVGLLTNSA-N
XLogP0.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 119064986
(2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid
CID 90721203
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210062
N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide
CID 105058867
5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 97040090
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid
CID 69123854
4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide
CID 73306063
5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 115910451
(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 69438976
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 69064791
2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid
CID 141098610

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid (CID 69123830) is (2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid is O=C(NC1CN[C@H](C(=O)O)C1)c1ccc(Cl)s1.
What is the InChIKey of (2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid?
The InChIKey is XGMZYNSUYZKNEA-GDVGLLTNSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c11-8-2-1-7(17-8)9(14)13-5-3-6(10(15)16)12-4-5/h1-2,5-6,12H,3-4H2,(H,13,14)(H,15,16)/t5?,6-/m0/s1.
What are the key properties of (2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid?
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid has a molecular weight of 274.73 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69123830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).