methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate

C10H11Cl2NO3 — CID 107498115

IUPACmethyl 2-(2-amino-4,5-dichlorophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C10H11Cl2NO3/c1-5(10(14)15-2)16-9-4-7(12)6(11)3-8(9)13/h3-5H,13H2,1-2H3
InChIKeyPRPVYDCSMMMYIP-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.52
Rot. Bonds3

About methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate

methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate (PubChem CID 107498115) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-amino-4,5-dichlorophenoxy)propanoate
PubChem CID107498115
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Namemethyl 2-(2-amino-4,5-dichlorophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C10H11Cl2NO3/c1-5(10(14)15-2)16-9-4-7(12)6(11)3-8(9)13/h3-5H,13H2,1-2H3
InChIKeyPRPVYDCSMMMYIP-UHFFFAOYSA-N
XLogP2.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate
CID 22073037
2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 107497904
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
CID 40721204
2-[4-chloro-2-fluoro-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxyphenyl]-2-oxoacetic acid
CID 141015580
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
2-(2,4,5-trichlorophenoxy)propanoyl chloride
CID 71363977
methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate
CID 71075712
methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate
CID 106955156
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate?
The IUPAC name of methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate (CID 107498115) is methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate.
What is the SMILES notation for methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate?
The canonical SMILES for methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate is COC(=O)C(C)Oc1cc(Cl)c(Cl)cc1N.
What is the InChIKey of methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate?
The InChIKey is PRPVYDCSMMMYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-5(10(14)15-2)16-9-4-7(12)6(11)3-8(9)13/h3-5H,13H2,1-2H3.
What are the key properties of methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate?
methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate has a molecular weight of 264.11 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate is sourced from PubChem (CID 107498115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).