methyl 3-(4-amino-2,6-dichloroanilino)propanoate

C10H12Cl2N2O2 — CID 106890049

IUPACmethyl 3-(4-amino-2,6-dichloroanilino)propanoate
SMILESCOC(=O)CCNc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-16-9(15)2-3-14-10-7(11)4-6(13)5-8(10)12/h4-5,14H,2-3,13H2,1H3
InChIKeyDJARCGGXORELGY-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.55
Rot. Bonds4

About methyl 3-(4-amino-2,6-dichloroanilino)propanoate

methyl 3-(4-amino-2,6-dichloroanilino)propanoate (PubChem CID 106890049) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is methyl 3-(4-amino-2,6-dichloroanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-amino-2,6-dichloroanilino)propanoate
PubChem CID106890049
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Namemethyl 3-(4-amino-2,6-dichloroanilino)propanoate
SMILESCOC(=O)CCNc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-16-9(15)2-3-14-10-7(11)4-6(13)5-8(10)12/h4-5,14H,2-3,13H2,1H3
InChIKeyDJARCGGXORELGY-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate
CID 83079052
2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine
CID 106890231
methyl 5-amino-3-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]benzoate
CID 107195482
methyl 3-(4-amino-5-chloro-2-methylanilino)propanoate
CID 115554656
2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine
CID 106890224
tert-butyl N-[3-(4-amino-2,6-dichloroanilino)propyl]carbamate
CID 106890847
methyl 5-amino-3-chloro-2-(4-methoxybutylamino)benzoate
CID 107195444
methyl 2-[4-(4-amino-2,6-dichloroanilino)-4-oxobutyl]sulfanylacetate
CID 43618026
methyl 3-(2-bromo-3-chloroanilino)propanoate
CID 103479005
methyl 3-(2-amino-3,5-difluoroanilino)propanoate
CID 115506688
methyl 3-[(5-amino-2,3-dichlorobenzoyl)-methylamino]propanoate
CID 107184847
methyl 3-(2-chloro-4-nitroanilino)propanoate
CID 60632030

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-amino-2,6-dichloroanilino)propanoate?
The IUPAC name of methyl 3-(4-amino-2,6-dichloroanilino)propanoate (CID 106890049) is methyl 3-(4-amino-2,6-dichloroanilino)propanoate.
What is the SMILES notation for methyl 3-(4-amino-2,6-dichloroanilino)propanoate?
The canonical SMILES for methyl 3-(4-amino-2,6-dichloroanilino)propanoate is COC(=O)CCNc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of methyl 3-(4-amino-2,6-dichloroanilino)propanoate?
The InChIKey is DJARCGGXORELGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-16-9(15)2-3-14-10-7(11)4-6(13)5-8(10)12/h4-5,14H,2-3,13H2,1H3.
What are the key properties of methyl 3-(4-amino-2,6-dichloroanilino)propanoate?
methyl 3-(4-amino-2,6-dichloroanilino)propanoate has a molecular weight of 263.12 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-amino-2,6-dichloroanilino)propanoate is sourced from PubChem (CID 106890049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).