(2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid

C9H10ClNO3 — CID 10632475

IUPAC(2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid
SMILESN[C@H](Cc1ccc(O)c(Cl)c1)C(=O)O
InChIInChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1
InChIKeyACWBBAGYTKWBCD-SSDOTTSWSA-N
MW215.64 g/mol
LogP1.00
Rot. Bonds3

About (2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid

(2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid (PubChem CID 10632475) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is (2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid
PubChem CID10632475
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name(2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid
SMILESN[C@H](Cc1ccc(O)c(Cl)c1)C(=O)O
InChIInChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1
InChIKeyACWBBAGYTKWBCD-SSDOTTSWSA-N
XLogP1.00
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid (CID 10632475) is (2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid is N[C@H](Cc1ccc(O)c(Cl)c1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid?
The InChIKey is ACWBBAGYTKWBCD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid?
(2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid has a molecular weight of 215.64 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 10632475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).