amino (2S)-2-(2,4-dichlorophenoxy)propanoate

C9H9Cl2NO3 — CID 170104927

IUPACamino (2S)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)ON
InChIInChI=1S/C9H9Cl2NO3/c1-5(9(13)15-12)14-8-3-2-6(10)4-7(8)11/h2-5H,12H2,1H3/t5-/m0/s1
InChIKeyVXSZGHLLAADOAF-YFKPBYRVSA-N
MW250.08 g/mol
LogP2.18
Rot. Bonds3

About amino (2S)-2-(2,4-dichlorophenoxy)propanoate

amino (2S)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 170104927) has the molecular formula C9H9Cl2NO3 and a molecular weight of 250.08 g/mol. Its IUPAC name is amino (2S)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Nameamino (2S)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID170104927
Molecular FormulaC9H9Cl2NO3
Molecular Weight250.08 g/mol
Exact Mass249.00
IUPAC Nameamino (2S)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)ON
InChIInChI=1S/C9H9Cl2NO3/c1-5(9(13)15-12)14-8-3-2-6(10)4-7(8)11/h2-5H,12H2,1H3/t5-/m0/s1
InChIKeyVXSZGHLLAADOAF-YFKPBYRVSA-N
XLogP2.18
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
5-chloro-2-[2-(2,4-dichlorophenoxy)propanoyloxy]benzoic acid
CID 54855091
(2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate
CID 4876645
[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862401
2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate
CID 90904922
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82724609
phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 1336816

Frequently Asked Questions

What is the IUPAC name of amino (2S)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of amino (2S)-2-(2,4-dichlorophenoxy)propanoate (CID 170104927) is amino (2S)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for amino (2S)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for amino (2S)-2-(2,4-dichlorophenoxy)propanoate is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)ON.
What is the InChIKey of amino (2S)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is VXSZGHLLAADOAF-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9Cl2NO3/c1-5(9(13)15-12)14-8-3-2-6(10)4-7(8)11/h2-5H,12H2,1H3/t5-/m0/s1.
What are the key properties of amino (2S)-2-(2,4-dichlorophenoxy)propanoate?
amino (2S)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 250.08 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2S)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 170104927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).