methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate

C13H19NO3 — CID 63322956

IUPACmethyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate
SMILESCOC(=O)CCC(N)Cc1cc(C)ccc1O
InChIInChI=1S/C13H19NO3/c1-9-3-5-12(15)10(7-9)8-11(14)4-6-13(16)17-2/h3,5,7,11,15H,4,6,8,14H2,1-2H3
InChIKeyCKMNAXVJGXRAKC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.52
Rot. Bonds5

About methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate

methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate (PubChem CID 63322956) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate
PubChem CID63322956
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate
SMILESCOC(=O)CCC(N)Cc1cc(C)ccc1O
InChIInChI=1S/C13H19NO3/c1-9-3-5-12(15)10(7-9)8-11(14)4-6-13(16)17-2/h3,5,7,11,15H,4,6,8,14H2,1-2H3
InChIKeyCKMNAXVJGXRAKC-UHFFFAOYSA-N
XLogP1.52
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-5-(4-methylphenyl)pentanoate
CID 62960950
methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate
CID 82351379
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-(3-chlorophenyl)pentanoate
CID 62962583
ethyl 5-(2-hydroxy-5-methylphenyl)-4-oxopentanoate
CID 158022977
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
[4-methyl-2-(4-methylpentanoyloxy)phenyl] 4-methylpentanoate
CID 90032433
methyl 2-[(2-hydroxy-5-methylphenyl)methylamino]-3-methylbutanoate
CID 63327146
methyl (4S)-4-aminohexanoate
CID 130019319
methyl 4-amino-4-(2,4,6-trimethylphenyl)butanoate
CID 60862319
methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate
CID 62962953

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate?
The IUPAC name of methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate (CID 63322956) is methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate.
What is the SMILES notation for methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate?
The canonical SMILES for methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate is COC(=O)CCC(N)Cc1cc(C)ccc1O.
What is the InChIKey of methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate?
The InChIKey is CKMNAXVJGXRAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-3-5-12(15)10(7-9)8-11(14)4-6-13(16)17-2/h3,5,7,11,15H,4,6,8,14H2,1-2H3.
What are the key properties of methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate?
methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate has a molecular weight of 237.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate is sourced from PubChem (CID 63322956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).