ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate

C14H16Cl2N2O4 — CID 110191700

IUPACethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O4/c1-2-22-13(20)12-6-9(19)7-18(12)14(21)17-8-3-4-10(15)11(16)5-8/h3-5,9,12,19H,2,6-7H2,1H3,(H,17,21)/t9-,12+/m1/s1
InChIKeyWTVZDELOIGWQEK-SKDRFNHKSA-N
MW347.20 g/mol
LogP2.52
Rot. Bonds3

About ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate

ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 110191700) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID110191700
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Nameethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O4/c1-2-22-13(20)12-6-9(19)7-18(12)14(21)17-8-3-4-10(15)11(16)5-8/h3-5,9,12,19H,2,6-7H2,1H3,(H,17,21)/t9-,12+/m1/s1
InChIKeyWTVZDELOIGWQEK-SKDRFNHKSA-N
XLogP2.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate 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

1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61181705
(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000351
ethyl 1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3261941
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 102785989
1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43185753
(2S,4S)-1-[(4-ethylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712537
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
(2S,4R)-1-[(3-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 30045568
1-[(3-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775382
ethyl 1-[2-(2,4-dimethylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
CID 21469647
methyl (2S,4S)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate
CID 6933985
methyl 4-hydroxy-1-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate
CID 2783038

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate (CID 110191700) is ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is WTVZDELOIGWQEK-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c1-2-22-13(20)12-6-9(19)7-18(12)14(21)17-8-3-4-10(15)11(16)5-8/h3-5,9,12,19H,2,6-7H2,1H3,(H,17,21)/t9-,12+/m1/s1.
What are the key properties of ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate?
ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 347.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 110191700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).