2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid

C11H13Cl2NO2 — CID 43753845

IUPAC2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid
SMILESCCNC(C)(C(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-3-14-11(2,10(15)16)8-6-7(12)4-5-9(8)13/h4-6,14H,3H2,1-2H3,(H,15,16)
InChIKeyWPCTWYJKDYZKEV-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.90
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid

2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid (PubChem CID 43753845) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid
PubChem CID43753845
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid
SMILESCCNC(C)(C(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-3-14-11(2,10(15)16)8-6-7(12)4-5-9(8)13/h4-6,14H,3H2,1-2H3,(H,15,16)
InChIKeyWPCTWYJKDYZKEV-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-2-(ethylamino)propanamide
CID 60787377
(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
CID 93280138
2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid
CID 61002117
methyl 2-(2,5-dichlorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62366157
2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
CID 61024255
ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate
CID 61025629
2-(3-azidopropylamino)-2-(2,4-dichlorophenyl)propanoic acid
CID 66191278
(2S)-2-(2,6-difluorophenyl)-2-(ethylamino)propanoic acid
CID 93280142
methyl 3-(2,5-dichlorophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394589
ethyl 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanoate
CID 117049944
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
2-(4-bromo-2-chlorophenyl)-2-(ethylamino)propanamide
CID 82773747

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid?
The IUPAC name of 2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid (CID 43753845) is 2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid?
The canonical SMILES for 2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid is CCNC(C)(C(=O)O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid?
The InChIKey is WPCTWYJKDYZKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-3-14-11(2,10(15)16)8-6-7(12)4-5-9(8)13/h4-6,14H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid?
2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid has a molecular weight of 262.14 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid is sourced from PubChem (CID 43753845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).