2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid

C11H13Cl2NO2 — CID 62638137

IUPAC2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-7(11(15)16)14(2)6-8-3-4-9(12)5-10(8)13/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyKFIKYBDZPCJLHI-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.90
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid

2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid (PubChem CID 62638137) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
PubChem CID62638137
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-7(11(15)16)14(2)6-8-3-4-9(12)5-10(8)13/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyKFIKYBDZPCJLHI-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]propanoic acid
CID 62639812
2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 122036939
(2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 2657912
(2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide
CID 9197004
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
2-[(5-chloro-2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
CID 122036987
3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040409
2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid
CID 55246702
2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 65060241
4-(2,4-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81008936
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 132652594
2-[(4-chlorothiophen-2-yl)methyl-methylamino]propanoic acid
CID 79426680

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid (CID 62638137) is 2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid is CC(C(=O)O)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid?
The InChIKey is KFIKYBDZPCJLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-7(11(15)16)14(2)6-8-3-4-9(12)5-10(8)13/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid?
2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid has a molecular weight of 262.14 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 62638137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).