2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid

C11H13Cl2NO2 — CID 103914711

IUPAC2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid
SMILESCC(NC(C)c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C11H13Cl2NO2/c1-6(14-7(2)11(15)16)8-4-3-5-9(12)10(8)13/h3-7,14H,1-2H3,(H,15,16)
InChIKeyUUPRTKQMXDXNSA-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.12
Rot. Bonds4

About 2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid

2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid (PubChem CID 103914711) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid
PubChem CID103914711
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid
SMILESCC(NC(C)c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C11H13Cl2NO2/c1-6(14-7(2)11(15)16)8-4-3-5-9(12)10(8)13/h3-7,14H,1-2H3,(H,15,16)
InChIKeyUUPRTKQMXDXNSA-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid
CID 61499506
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81378293
methyl 2-[1-(2,3,4-trichlorophenyl)ethylamino]propanoate
CID 60781951
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81378852
N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide
CID 103930892
(2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide
CID 51925554
2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide
CID 103780154
3-[1-(2,3-dichlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 103904031
2,3-dichlorophenol;2-hydroxypropanoic acid
CID 163936283
ethyl 2-[1-(2,3,4-trichlorophenyl)ethylamino]propanoate
CID 61498523

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid?
The IUPAC name of 2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid (CID 103914711) is 2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid.
What is the SMILES notation for 2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid?
The canonical SMILES for 2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid is CC(NC(C)c1cccc(Cl)c1Cl)C(=O)O.
What is the InChIKey of 2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid?
The InChIKey is UUPRTKQMXDXNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-6(14-7(2)11(15)16)8-4-3-5-9(12)10(8)13/h3-7,14H,1-2H3,(H,15,16).
What are the key properties of 2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid?
2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid has a molecular weight of 262.14 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid is sourced from PubChem (CID 103914711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).