(2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid

C15H13Cl2NO3 — CID 70117929

IUPAC(2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid
SMILESN[C@H](Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(=O)O
InChIInChI=1S/C15H13Cl2NO3/c16-12-5-4-11(8-13(12)17)21-10-3-1-2-9(6-10)7-14(18)15(19)20/h1-6,8,14H,7,18H2,(H,19,20)/t14-/m1/s1
InChIKeyXPGSTJCNNKKIIX-CQSZACIVSA-N
MW326.18 g/mol
LogP3.74
Rot. Bonds5

About (2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid

(2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid (PubChem CID 70117929) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is (2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid
PubChem CID70117929
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name(2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid
SMILESN[C@H](Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(=O)O
InChIInChI=1S/C15H13Cl2NO3/c16-12-5-4-11(8-13(12)17)21-10-3-1-2-9(6-10)7-14(18)15(19)20/h1-6,8,14H,7,18H2,(H,19,20)/t14-/m1/s1
InChIKeyXPGSTJCNNKKIIX-CQSZACIVSA-N
XLogP3.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid
CID 169025333
2-amino-3-[3-(2-amino-3-phenylpropanoyl)oxyphenyl]propanoic acid
CID 129143949
2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid
CID 146445500
2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid
CID 144937795
2-amino-3-[3-(2,3-dichloropropoxy)phenyl]propanoic acid
CID 118195784
2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid
CID 10215748
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
3-[3-[3-(3,4-dichlorophenoxy)-2-fluoropropoxy]phenyl]-2-propan-2-yloxypropanoic acid
CID 69005913
2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 11053116
(2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 62717943
2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid
CID 170879584
(2S)-2-amino-3-(4-chloro-3-methoxyphenyl)propanoic acid
CID 57319937

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid (CID 70117929) is (2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid is N[C@H](Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid?
The InChIKey is XPGSTJCNNKKIIX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c16-12-5-4-11(8-13(12)17)21-10-3-1-2-9(6-10)7-14(18)15(19)20/h1-6,8,14H,7,18H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid?
(2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid has a molecular weight of 326.18 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid is sourced from PubChem (CID 70117929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).