azanium 2-(2,4-dichlorophenoxy)propanoate

C9H11Cl2NO3 — CID 21219600

IUPACazanium 2-(2,4-dichlorophenoxy)propanoate
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)[O-].[NH4+]
InChIInChI=1S/C9H8Cl2O3.H3N/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2-5H,1H3,(H,12,13);1H3
InChIKeyKIOAHPKRMDELKS-UHFFFAOYSA-N
MW252.10 g/mol
LogP1.89
Rot. Bonds3

About azanium 2-(2,4-dichlorophenoxy)propanoate

azanium 2-(2,4-dichlorophenoxy)propanoate (PubChem CID 21219600) has the molecular formula C9H11Cl2NO3 and a molecular weight of 252.10 g/mol. Its IUPAC name is azanium 2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Nameazanium 2-(2,4-dichlorophenoxy)propanoate
PubChem CID21219600
Molecular FormulaC9H11Cl2NO3
Molecular Weight252.10 g/mol
Exact Mass251.01
IUPAC Nameazanium 2-(2,4-dichlorophenoxy)propanoate
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)[O-].[NH4+]
InChIInChI=1S/C9H8Cl2O3.H3N/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2-5H,1H3,(H,12,13);1H3
InChIKeyKIOAHPKRMDELKS-UHFFFAOYSA-N
XLogP1.89
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
magnesium 2-(4-chloro-2-methylphenoxy)propanoate
CID 3015469
silver 2-(4-chloro-2-methylphenoxy)propanoate
CID 159374352
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate
CID 90904922
2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 4249290
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785

Frequently Asked Questions

What is the IUPAC name of azanium 2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of azanium 2-(2,4-dichlorophenoxy)propanoate (CID 21219600) is azanium 2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for azanium 2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for azanium 2-(2,4-dichlorophenoxy)propanoate is CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-].[NH4+].
What is the InChIKey of azanium 2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is KIOAHPKRMDELKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3.H3N/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2-5H,1H3,(H,12,13);1H3.
What are the key properties of azanium 2-(2,4-dichlorophenoxy)propanoate?
azanium 2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 252.10 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 21219600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).