(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid

C11H14ClNO2 — CID 51887906

IUPAC(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
SMILESCN(C)[C@@](C)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-11(10(14)15,13(2)3)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyCYKHMICFOPJKFO-LLVKDONJSA-N
MW227.69 g/mol
LogP2.20
Rot. Bonds3

About (2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid

(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid (PubChem CID 51887906) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
PubChem CID51887906
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
SMILESCN(C)[C@@](C)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-11(10(14)15,13(2)3)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyCYKHMICFOPJKFO-LLVKDONJSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
(2S)-2-(dimethylamino)-2-phenylpropanoic acid
CID 51374247
(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 93297247
2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid
CID 63703799
(2R)-2-(3-chloro-4-methoxyphenyl)-2-(dimethylamino)propanoic acid
CID 97034755
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
2-(4-chlorophenyl)-N,N,2-trimethylpropanamide
CID 71939020
2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid
CID 43803122
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
2-(4-chlorophenyl)-N,2-dihydroxy-N-methylpropanamide
CID 14787850
2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid
CID 55231810
2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid
CID 110466167

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid (CID 51887906) is (2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid is CN(C)[C@@](C)(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid?
The InChIKey is CYKHMICFOPJKFO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-11(10(14)15,13(2)3)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid?
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid has a molecular weight of 227.69 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid is sourced from PubChem (CID 51887906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).