2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid

C11H14ClNO2 — CID 115113110

IUPAC2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(Cl)c(N(C)C)c1
InChIInChI=1S/C11H14ClNO2/c1-7(11(14)15)8-4-5-9(12)10(6-8)13(2)3/h4-7H,1-3H3,(H,14,15)
InChIKeyXURGPANCABRCQZ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.59
Rot. Bonds3

About 2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid

2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid (PubChem CID 115113110) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid
PubChem CID115113110
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(Cl)c(N(C)C)c1
InChIInChI=1S/C11H14ClNO2/c1-7(11(14)15)8-4-5-9(12)10(6-8)13(2)3/h4-7H,1-3H3,(H,14,15)
InChIKeyXURGPANCABRCQZ-UHFFFAOYSA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 84791168
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2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate
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2-(3,4-dihydroxyphenyl)propanoic acid
CID 20848968
2-[3-chloro-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]phenyl]propanoic acid
CID 12820634
3-[2-(3,4-dichlorophenyl)propanoylamino]butanoic acid
CID 119221515
N-[4-chloro-3-(dimethylamino)phenyl]acetamide
CID 19857498
2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid
CID 21406779
2-[3-chloro-4-(1-methylazetidin-3-yl)phenyl]propanoic acid
CID 117387283
(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
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2-(1,3-benzoxathiol-5-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid?
The IUPAC name of 2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid (CID 115113110) is 2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid?
The canonical SMILES for 2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid is CC(C(=O)O)c1ccc(Cl)c(N(C)C)c1.
What is the InChIKey of 2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid?
The InChIKey is XURGPANCABRCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7(11(14)15)8-4-5-9(12)10(6-8)13(2)3/h4-7H,1-3H3,(H,14,15).
What are the key properties of 2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid?
2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid has a molecular weight of 227.69 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid is sourced from PubChem (CID 115113110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).