4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid

C12H14ClNO4 — CID 43239206

IUPAC4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)COc1ccccc1Cl
InChIInChI=1S/C12H14ClNO4/c13-9-4-1-2-5-10(9)18-8-11(15)14-7-3-6-12(16)17/h1-2,4-5H,3,6-8H2,(H,14,15)(H,16,17)
InChIKeyYCHLWPMKBWKRSX-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.70
Rot. Bonds7

About 4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid

4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid (PubChem CID 43239206) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
PubChem CID43239206
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)COc1ccccc1Cl
InChIInChI=1S/C12H14ClNO4/c13-9-4-1-2-5-10(9)18-8-11(15)14-7-3-6-12(16)17/h1-2,4-5H,3,6-8H2,(H,14,15)(H,16,17)
InChIKeyYCHLWPMKBWKRSX-UHFFFAOYSA-N
XLogP1.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2,5-dichlorophenoxy)acetyl]amino]butanoic acid
CID 43241696
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide
CID 8604337
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9011744
2-(2-chlorophenoxy)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60654382
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
4-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]butanoic acid
CID 43239243
N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139333
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
6-[[2-(2-tert-butylphenoxy)acetyl]amino]hexanoic acid
CID 53263967
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide
CID 18111286

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid (CID 43239206) is 4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid is O=C(O)CCCNC(=O)COc1ccccc1Cl.
What is the InChIKey of 4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid?
The InChIKey is YCHLWPMKBWKRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c13-9-4-1-2-5-10(9)18-8-11(15)14-7-3-6-12(16)17/h1-2,4-5H,3,6-8H2,(H,14,15)(H,16,17).
What are the key properties of 4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid?
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid has a molecular weight of 271.70 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid is sourced from PubChem (CID 43239206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).