methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate

C12H15Cl2NO2 — CID 55152924

IUPACmethyl 4-amino-5-(3,4-dichlorophenyl)pentanoate
SMILESCOC(=O)CCC(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-17-12(16)5-3-9(15)6-8-2-4-10(13)11(14)7-8/h2,4,7,9H,3,5-6,15H2,1H3
InChIKeyBOFFRYBKGITMPP-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.82
Rot. Bonds5

About methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate

methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate (PubChem CID 55152924) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-5-(3,4-dichlorophenyl)pentanoate
PubChem CID55152924
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Namemethyl 4-amino-5-(3,4-dichlorophenyl)pentanoate
SMILESCOC(=O)CCC(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-17-12(16)5-3-9(15)6-8-2-4-10(13)11(14)7-8/h2,4,7,9H,3,5-6,15H2,1H3
InChIKeyBOFFRYBKGITMPP-UHFFFAOYSA-N
XLogP2.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-amino-4-(3,4-dichlorophenyl)butanoate
CID 68773139
methyl 4-amino-5-(3-chlorophenyl)pentanoate
CID 62962583
methyl 4-amino-5-(4-methylphenyl)pentanoate
CID 62960950
methyl 4-amino-5-(3-fluoro-4-methylphenyl)pentanoate
CID 63644528
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
1-(3,4-dichlorophenyl)hept-5-yn-2-amine
CID 104805196
tert-butyl 2-amino-3-(3,4-dichlorophenyl)propanoate
CID 83226012
methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate
CID 63322956
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate?
The IUPAC name of methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate (CID 55152924) is methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate.
What is the SMILES notation for methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate?
The canonical SMILES for methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate is COC(=O)CCC(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate?
The InChIKey is BOFFRYBKGITMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-17-12(16)5-3-9(15)6-8-2-4-10(13)11(14)7-8/h2,4,7,9H,3,5-6,15H2,1H3.
What are the key properties of methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate?
methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate has a molecular weight of 276.16 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate is sourced from PubChem (CID 55152924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).