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

C9H10ClNO3 — CID 82613831

IUPAC2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
SMILESNC(Cc1ccc(Cl)cc1O)C(=O)O
InChIInChI=1S/C9H10ClNO3/c10-6-2-1-5(8(12)4-6)3-7(11)9(13)14/h1-2,4,7,12H,3,11H2,(H,13,14)
InChIKeyUBPUGKJLRRLEHH-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.00
Rot. Bonds3

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

2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid (PubChem CID 82613831) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
PubChem CID82613831
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
SMILESNC(Cc1ccc(Cl)cc1O)C(=O)O
InChIInChI=1S/C9H10ClNO3/c10-6-2-1-5(8(12)4-6)3-7(11)9(13)14/h1-2,4,7,12H,3,11H2,(H,13,14)
InChIKeyUBPUGKJLRRLEHH-UHFFFAOYSA-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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Related Compounds

(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657
3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid
CID 131365879
3-[2-(2-amino-2-carboxyethyl)-4-chlorophenyl]-2-methylpropanoic acid
CID 18956360
(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid
CID 96802774
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid
CID 52933836
(2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid
CID 135203756
(2S)-2-amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid;hydrate
CID 66764594
2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
CID 5134354
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
CID 145142461
(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
CID 130612428

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid (CID 82613831) is 2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid is NC(Cc1ccc(Cl)cc1O)C(=O)O.
What is the InChIKey of 2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid?
The InChIKey is UBPUGKJLRRLEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-6-2-1-5(8(12)4-6)3-7(11)9(13)14/h1-2,4,7,12H,3,11H2,(H,13,14).
What are the key properties of 2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid?
2-amino-3-(4-chloro-2-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 2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 82613831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).