(2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid

C11H12ClNO4 — CID 67926622

IUPAC(2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid
SMILESCC(=O)Nc1ccc(O[C@@H](C)C(=O)O)c(Cl)c1
InChIInChI=1S/C11H12ClNO4/c1-6(11(15)16)17-10-4-3-8(5-9(10)12)13-7(2)14/h3-6H,1-2H3,(H,13,14)(H,15,16)/t6-/m0/s1
InChIKeyRXYQIMFRQIUUEO-LURJTMIESA-N
MW257.67 g/mol
LogP2.15
Rot. Bonds4

About (2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid

(2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid (PubChem CID 67926622) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is (2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid
PubChem CID67926622
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name(2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid
SMILESCC(=O)Nc1ccc(O[C@@H](C)C(=O)O)c(Cl)c1
InChIInChI=1S/C11H12ClNO4/c1-6(11(15)16)17-10-4-3-8(5-9(10)12)13-7(2)14/h3-6H,1-2H3,(H,13,14)(H,15,16)/t6-/m0/s1
InChIKeyRXYQIMFRQIUUEO-LURJTMIESA-N
XLogP2.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
2-(4-tert-butyl-2-chlorophenoxy)propanoic acid
CID 54793047
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
N-[4-[(4-butan-2-yloxy-3-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 15954864
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
2-[4-(2-carboxyethenyl)-2-chlorophenoxy]propanoic acid
CID 76914346
2-chloro-4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoic acid
CID 28677019
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid?
The IUPAC name of (2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid (CID 67926622) is (2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid?
The canonical SMILES for (2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid is CC(=O)Nc1ccc(O[C@@H](C)C(=O)O)c(Cl)c1.
What is the InChIKey of (2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid?
The InChIKey is RXYQIMFRQIUUEO-LURJTMIESA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-6(11(15)16)17-10-4-3-8(5-9(10)12)13-7(2)14/h3-6H,1-2H3,(H,13,14)(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid?
(2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid has a molecular weight of 257.67 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid is sourced from PubChem (CID 67926622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).