(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid

C12H16Cl2N2O2 — CID 51891388

IUPAC(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
SMILESCN(C)CCN[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-16(2)6-5-15-11(12(17)18)8-3-4-9(13)10(14)7-8/h3-4,7,11,15H,5-6H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyNPFRQADJRYXIKU-LLVKDONJSA-N
MW291.18 g/mol
LogP2.27
Rot. Bonds6

About (2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid

(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid (PubChem CID 51891388) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is (2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
PubChem CID51891388
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
SMILESCN(C)CCN[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-16(2)6-5-15-11(12(17)18)8-3-4-9(13)10(14)7-8/h3-4,7,11,15H,5-6H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyNPFRQADJRYXIKU-LLVKDONJSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60994785
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 54895368
3-[[carboxy-(3,4-dichlorophenyl)methyl]amino]propanoic acid
CID 84746998
2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 106817620
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 54894700
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid
CID 54894927
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996063
2-[3-(dimethylamino)propylamino]-2-(4-methylsulfanylphenyl)acetic acid
CID 84746667
3-[[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-methylamino]propanoic acid
CID 110830643
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid
CID 54895272
2-[2-(dimethylamino)ethylamino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
CID 114075692

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid?
The IUPAC name of (2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid (CID 51891388) is (2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid.
What is the SMILES notation for (2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid?
The canonical SMILES for (2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid is CN(C)CCN[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid?
The InChIKey is NPFRQADJRYXIKU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-16(2)6-5-15-11(12(17)18)8-3-4-9(13)10(14)7-8/h3-4,7,11,15H,5-6H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid?
(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid has a molecular weight of 291.18 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid is sourced from PubChem (CID 51891388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).