(2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid

C11H11ClN2O5S — CID 90721203

IUPAC(2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(N[C@H]1C[C@@H](C(=O)O)N(C(=O)O)C1)c1ccc(Cl)s1
InChIInChI=1S/C11H11ClN2O5S/c12-8-2-1-7(20-8)9(15)13-5-3-6(10(16)17)14(4-5)11(18)19/h1-2,5-6H,3-4H2,(H,13,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1
InChIKeyYRDRELNSXRKGDQ-WDSKDSINSA-N
MW318.74 g/mol
LogP1.34
Rot. Bonds3

About (2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid

(2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid (PubChem CID 90721203) has the molecular formula C11H11ClN2O5S and a molecular weight of 318.74 g/mol. Its IUPAC name is (2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid
PubChem CID90721203
Molecular FormulaC11H11ClN2O5S
Molecular Weight318.74 g/mol
Exact Mass318.01
IUPAC Name(2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(N[C@H]1C[C@@H](C(=O)O)N(C(=O)O)C1)c1ccc(Cl)s1
InChIInChI=1S/C11H11ClN2O5S/c12-8-2-1-7(20-8)9(15)13-5-3-6(10(16)17)14(4-5)11(18)19/h1-2,5-6H,3-4H2,(H,13,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1
InChIKeyYRDRELNSXRKGDQ-WDSKDSINSA-N
XLogP1.34
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 143317084
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid
CID 69123854
(2S,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-[(4S)-4-methoxy-6-methyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 150209901
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 69123830
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
tert-butyl (2S,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 42643386
4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210062
butyl (2S,4R)-2-(aminomethyl)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1-carboxylate
CID 90952897
5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 97040090
tert-butyl (2S,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylate
CID 42643387
N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide
CID 141172259
4-(methylamino)pyrrolidine-1,2-dicarboxylic acid
CID 22181503

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid (CID 90721203) is (2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid is O=C(N[C@H]1C[C@@H](C(=O)O)N(C(=O)O)C1)c1ccc(Cl)s1.
What is the InChIKey of (2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is YRDRELNSXRKGDQ-WDSKDSINSA-N. The full InChI is InChI=1S/C11H11ClN2O5S/c12-8-2-1-7(20-8)9(15)13-5-3-6(10(16)17)14(4-5)11(18)19/h1-2,5-6H,3-4H2,(H,13,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1.
What are the key properties of (2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid?
(2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 318.74 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 90721203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).