methyl 4-amino-5-(4-methylphenyl)pentanoate

C13H19NO2 — CID 62960950

IUPACmethyl 4-amino-5-(4-methylphenyl)pentanoate
SMILESCOC(=O)CCC(N)Cc1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-10-3-5-11(6-4-10)9-12(14)7-8-13(15)16-2/h3-6,12H,7-9,14H2,1-2H3
InChIKeyUFOAETRLEBNBOI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.82
Rot. Bonds5

About methyl 4-amino-5-(4-methylphenyl)pentanoate

methyl 4-amino-5-(4-methylphenyl)pentanoate (PubChem CID 62960950) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 4-amino-5-(4-methylphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-5-(4-methylphenyl)pentanoate
PubChem CID62960950
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 4-amino-5-(4-methylphenyl)pentanoate
SMILESCOC(=O)CCC(N)Cc1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-10-3-5-11(6-4-10)9-12(14)7-8-13(15)16-2/h3-6,12H,7-9,14H2,1-2H3
InChIKeyUFOAETRLEBNBOI-UHFFFAOYSA-N
XLogP1.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate
CID 163602384
methyl 4-amino-5-(3-fluoro-4-methylphenyl)pentanoate
CID 63644528
methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate
CID 55152924
methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate
CID 63322956
methyl 4-amino-5-(3-chlorophenyl)pentanoate
CID 62962583
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
methyl 10-amino-11-phenylundecanoate;hydrochloride
CID 141254127
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
methyl 3-amino-4-[4-(2-methylpropyl)phenyl]butanoate
CID 82351578
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(4-methylphenyl)pentanoate?
The IUPAC name of methyl 4-amino-5-(4-methylphenyl)pentanoate (CID 62960950) is methyl 4-amino-5-(4-methylphenyl)pentanoate.
What is the SMILES notation for methyl 4-amino-5-(4-methylphenyl)pentanoate?
The canonical SMILES for methyl 4-amino-5-(4-methylphenyl)pentanoate is COC(=O)CCC(N)Cc1ccc(C)cc1.
What is the InChIKey of methyl 4-amino-5-(4-methylphenyl)pentanoate?
The InChIKey is UFOAETRLEBNBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-3-5-11(6-4-10)9-12(14)7-8-13(15)16-2/h3-6,12H,7-9,14H2,1-2H3.
What are the key properties of methyl 4-amino-5-(4-methylphenyl)pentanoate?
methyl 4-amino-5-(4-methylphenyl)pentanoate has a molecular weight of 221.30 g/mol, XLogP of 1.82, 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-(4-methylphenyl)pentanoate is sourced from PubChem (CID 62960950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).