2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid

C11H12ClNO4 — CID 43239395

IUPAC2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C11H12ClNO4/c1-7(11(15)16)13-10(14)6-17-9-4-2-3-8(12)5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyPGDHQKDFEHQYGK-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.31
Rot. Bonds5

About 2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid

2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid (PubChem CID 43239395) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
PubChem CID43239395
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C11H12ClNO4/c1-7(11(15)16)13-10(14)6-17-9-4-2-3-8(12)5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyPGDHQKDFEHQYGK-UHFFFAOYSA-N
XLogP1.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide
CID 64996994
(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80750925
(2S,3R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964349
(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7722413
(2S)-2-[[2-(3-chlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822042
(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
CID 2334250
N-[(2R)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)acetamide
CID 104872802
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
CID 43170839
N-(1-chloro-3-methylbutan-2-yl)-2-(3-chlorophenoxy)acetamide
CID 113273495
2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid
CID 4733202
(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 104906016
2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 99133008

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid (CID 43239395) is 2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid is CC(NC(=O)COc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid?
The InChIKey is PGDHQKDFEHQYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-7(11(15)16)13-10(14)6-17-9-4-2-3-8(12)5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid?
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid has a molecular weight of 257.67 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 43239395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).