(2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid

C11H13Cl2NO2 — CID 125045090

IUPAC(2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid
SMILESCCN(c1cc(Cl)cc(Cl)c1)[C@H](C)C(=O)O
InChIInChI=1S/C11H13Cl2NO2/c1-3-14(7(2)11(15)16)10-5-8(12)4-9(13)6-10/h4-7H,3H2,1-2H3,(H,15,16)/t7-/m1/s1
InChIKeyMOHHEXNUTVXVAZ-SSDOTTSWSA-N
MW262.14 g/mol
LogP3.29
Rot. Bonds4

About (2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid

(2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid (PubChem CID 125045090) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is (2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid
PubChem CID125045090
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name(2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid
SMILESCCN(c1cc(Cl)cc(Cl)c1)[C@H](C)C(=O)O
InChIInChI=1S/C11H13Cl2NO2/c1-3-14(7(2)11(15)16)10-5-8(12)4-9(13)6-10/h4-7H,3H2,1-2H3,(H,15,16)/t7-/m1/s1
InChIKeyMOHHEXNUTVXVAZ-SSDOTTSWSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(3,5-dichloro-N-ethylanilino)propanoic 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

(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
CID 124583979
2-(3,5-dichloro-N-ethylsulfonylanilino)propanoic acid
CID 50892480
(2R)-2-(2,4-dichloro-N-ethylanilino)propanoic acid
CID 125045037
2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid
CID 133150346
4-[1-carboxyethyl(ethyl)amino]benzoic acid
CID 90744202
2-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 107736740
2-(N-ethyl-4-formylanilino)propanoic acid
CID 54172194
3-[N-(1-carboxyethyl)-4-chloroanilino]-2-methylpropanoic acid
CID 82317255
2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid
CID 54919956
(2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid
CID 125045140
2-(3-chloro-N-ethylsulfonylanilino)propanoic acid
CID 50890299
2-(N-ethyl-4-fluoroanilino)pentan-3-one
CID 64866058

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid?
The IUPAC name of (2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid (CID 125045090) is (2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid.
What is the SMILES notation for (2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid?
The canonical SMILES for (2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid is CCN(c1cc(Cl)cc(Cl)c1)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid?
The InChIKey is MOHHEXNUTVXVAZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-3-14(7(2)11(15)16)10-5-8(12)4-9(13)6-10/h4-7H,3H2,1-2H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid?
(2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid has a molecular weight of 262.14 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid is sourced from PubChem (CID 125045090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).