(2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid

C15H15Cl2NO4 — CID 125120523

IUPAC(2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCO1
InChIInChI=1S/C15H15Cl2NO4/c16-9-3-8(4-10(17)5-9)11-6-12(11)14(19)18-1-2-22-13(7-18)15(20)21/h3-5,11-13H,1-2,6-7H2,(H,20,21)/t11-,12-,13+/m1/s1
InChIKeyIXKAWXDJNGUKCH-UPJWGTAASA-N
MW344.19 g/mol
LogP2.41
Rot. Bonds3

About (2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid

(2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid (PubChem CID 125120523) has the molecular formula C15H15Cl2NO4 and a molecular weight of 344.19 g/mol. Its IUPAC name is (2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
PubChem CID125120523
Molecular FormulaC15H15Cl2NO4
Molecular Weight344.19 g/mol
Exact Mass343.04
IUPAC Name(2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCO1
InChIInChI=1S/C15H15Cl2NO4/c16-9-3-8(4-10(17)5-9)11-6-12(11)14(19)18-1-2-22-13(7-18)15(20)21/h3-5,11-13H,1-2,6-7H2,(H,20,21)/t11-,12-,13+/m1/s1
InChIKeyIXKAWXDJNGUKCH-UPJWGTAASA-N
XLogP2.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-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

4-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 119240168
(2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125152161
(2S)-4-[(1R,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125152163
(3R)-1-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 125134395
1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118126
6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175706
4-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 119217087
(2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125153479
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone
CID 124865626
(3R)-1-[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-3-methylpiperidin-4-one
CID 124730027
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(3,5-dichlorophenyl)cyclopropyl]methanone
CID 119635392
4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid
CID 119239172

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid (CID 125120523) is (2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCO1.
What is the InChIKey of (2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
The InChIKey is IXKAWXDJNGUKCH-UPJWGTAASA-N. The full InChI is InChI=1S/C15H15Cl2NO4/c16-9-3-8(4-10(17)5-9)11-6-12(11)14(19)18-1-2-22-13(7-18)15(20)21/h3-5,11-13H,1-2,6-7H2,(H,20,21)/t11-,12-,13+/m1/s1.
What are the key properties of (2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
(2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid has a molecular weight of 344.19 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125120523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).