(2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid

C13H14Cl2N2O4 — CID 72882465

IUPAC(2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid
SMILESO=C(COc1ccc(Cl)cc1Cl)N[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C13H14Cl2N2O4/c14-7-1-2-11(9(15)3-7)21-6-12(18)17-8-4-10(13(19)20)16-5-8/h1-3,8,10,16H,4-6H2,(H,17,18)(H,19,20)/t8-,10-/m0/s1
InChIKeyHWCOQXRQPQURDR-WPRPVWTQSA-N
MW333.17 g/mol
LogP1.30
Rot. Bonds5

About (2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid

(2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid (PubChem CID 72882465) has the molecular formula C13H14Cl2N2O4 and a molecular weight of 333.17 g/mol. Its IUPAC name is (2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid
PubChem CID72882465
Molecular FormulaC13H14Cl2N2O4
Molecular Weight333.17 g/mol
Exact Mass332.03
IUPAC Name(2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid
SMILESO=C(COc1ccc(Cl)cc1Cl)N[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C13H14Cl2N2O4/c14-7-1-2-11(9(15)3-7)21-6-12(18)17-8-4-10(13(19)20)16-5-8/h1-3,8,10,16H,4-6H2,(H,17,18)(H,19,20)/t8-,10-/m0/s1
InChIKeyHWCOQXRQPQURDR-WPRPVWTQSA-N
XLogP1.30
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic 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

3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030116
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255
2-(2,4-dichlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2853637
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2,4-dichlorophenoxy)acetamide
CID 1338660
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
cis-(1R,2S)-2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 40546144
2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 5227187
2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120577365
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid (CID 72882465) is (2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid is O=C(COc1ccc(Cl)cc1Cl)N[C@@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid?
The InChIKey is HWCOQXRQPQURDR-WPRPVWTQSA-N. The full InChI is InChI=1S/C13H14Cl2N2O4/c14-7-1-2-11(9(15)3-7)21-6-12(18)17-8-4-10(13(19)20)16-5-8/h1-3,8,10,16H,4-6H2,(H,17,18)(H,19,20)/t8-,10-/m0/s1.
What are the key properties of (2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid?
(2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid has a molecular weight of 333.17 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 72882465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).