(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid

C16H15Cl2NO3 — CID 56777094

IUPAC(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
SMILESN[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)O
InChIInChI=1S/C16H15Cl2NO3/c17-13-2-1-3-14(18)12(13)9-22-11-6-4-10(5-7-11)8-15(19)16(20)21/h1-7,15H,8-9,19H2,(H,20,21)/t15-/m1/s1
InChIKeyFTZFICPDLOOUKO-OAHLLOKOSA-N
MW340.21 g/mol
LogP3.53
Rot. Bonds6

About (2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid

(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid (PubChem CID 56777094) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is (2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
PubChem CID56777094
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
SMILESN[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)O
InChIInChI=1S/C16H15Cl2NO3/c17-13-2-1-3-14(18)12(13)9-22-11-6-4-10(5-7-11)8-15(19)16(20)21/h1-7,15H,8-9,19H2,(H,20,21)/t15-/m1/s1
InChIKeyFTZFICPDLOOUKO-OAHLLOKOSA-N
XLogP3.53
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22386629
2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxy-3-oxopropanoic acid
CID 70021605
2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]-3,5-diiodophenyl]propanoic acid
CID 22035602
2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66528329
methyl 2-amino-3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22624503
3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[(2-methyl-3-oxopropanoyl)amino]propanoic acid
CID 20758732
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
(2S)-2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]propanoic acid;1-(4-aminophenyl)ethanone
CID 70092414
(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid
CID 11499578
CID 88967264
CID 88967264
(2R)-2-amino-3-[4-(methylsulfanylmethoxy)phenyl]propanoic acid
CID 144552252
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid (CID 56777094) is (2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid is N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid?
The InChIKey is FTZFICPDLOOUKO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c17-13-2-1-3-14(18)12(13)9-22-11-6-4-10(5-7-11)8-15(19)16(20)21/h1-7,15H,8-9,19H2,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid?
(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid has a molecular weight of 340.21 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 56777094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).