(2R)-2-(3,4-dichloroanilino)propanoate

C9H8Cl2NO2- — CID 7855671

IUPAC(2R)-2-(3,4-dichloroanilino)propanoate
SMILESC[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)[O-]
InChIInChI=1S/C9H9Cl2NO2/c1-5(9(13)14)12-6-2-3-7(10)8(11)4-6/h2-5,12H,1H3,(H,13,14)/p-1/t5-/m1/s1
InChIKeySUWRMAZHFSUJCB-RXMQYKEDSA-M
MW233.07 g/mol
LogP1.54
Rot. Bonds3

About (2R)-2-(3,4-dichloroanilino)propanoate

(2R)-2-(3,4-dichloroanilino)propanoate (PubChem CID 7855671) has the molecular formula C9H8Cl2NO2- and a molecular weight of 233.07 g/mol. Its IUPAC name is (2R)-2-(3,4-dichloroanilino)propanoate.

Molecular Properties

Compound Name(2R)-2-(3,4-dichloroanilino)propanoate
PubChem CID7855671
Molecular FormulaC9H8Cl2NO2-
Molecular Weight233.07 g/mol
Exact Mass231.99
IUPAC Name(2R)-2-(3,4-dichloroanilino)propanoate
SMILESC[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)[O-]
InChIInChI=1S/C9H9Cl2NO2/c1-5(9(13)14)12-6-2-3-7(10)8(11)4-6/h2-5,12H,1H3,(H,13,14)/p-1/t5-/m1/s1
InChIKeySUWRMAZHFSUJCB-RXMQYKEDSA-M
XLogP1.54
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(3,4-dichloroanilino)propanoate 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

lithium (2S)-2-(3-chloro-4-fluoroanilino)propanoate
CID 69119001
(2R)-2-(3,4-dichloroanilino)propanehydrazide
CID 946902
methyl 2-[2-(3,4-dichloroanilino)propanoylamino]propanoate
CID 18380258
(2R)-2-(4-chloroanilino)propanoate
CID 7152546
2-(3,4-dichloroanilino)-N,N-diethylpropanamide
CID 23317113
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686
3-amino-4-[2-(3,4-dichloroanilino)propanoyl]oxolan-2-one
CID 141000619
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
3-(3,4-dichloroanilino)-2-methylbutan-2-ol
CID 65333174

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichloroanilino)propanoate?
The IUPAC name of (2R)-2-(3,4-dichloroanilino)propanoate (CID 7855671) is (2R)-2-(3,4-dichloroanilino)propanoate.
What is the SMILES notation for (2R)-2-(3,4-dichloroanilino)propanoate?
The canonical SMILES for (2R)-2-(3,4-dichloroanilino)propanoate is C[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)[O-].
What is the InChIKey of (2R)-2-(3,4-dichloroanilino)propanoate?
The InChIKey is SUWRMAZHFSUJCB-RXMQYKEDSA-M. The full InChI is InChI=1S/C9H9Cl2NO2/c1-5(9(13)14)12-6-2-3-7(10)8(11)4-6/h2-5,12H,1H3,(H,13,14)/p-1/t5-/m1/s1.
What are the key properties of (2R)-2-(3,4-dichloroanilino)propanoate?
(2R)-2-(3,4-dichloroanilino)propanoate has a molecular weight of 233.07 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dichloroanilino)propanoate is sourced from PubChem (CID 7855671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).