methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate

C15H23NO3 — CID 54927572

IUPACmethyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate
SMILESCOC(=O)CCCC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)19-13-9-7-12(8-10-13)14(16)5-4-6-15(17)18-3/h7-11,14H,4-6,16H2,1-3H3
InChIKeyVQGNEXZBQBYFBS-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.82
Rot. Bonds7

About methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate

methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate (PubChem CID 54927572) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate
PubChem CID54927572
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate
SMILESCOC(=O)CCCC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)19-13-9-7-12(8-10-13)14(16)5-4-6-15(17)18-3/h7-11,14H,4-6,16H2,1-3H3
InChIKeyVQGNEXZBQBYFBS-UHFFFAOYSA-N
XLogP2.82
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-5-[4-(trifluoromethoxy)phenyl]pentanoate
CID 60861488
N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 116933874
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
CID 116955534
methyl 7-amino-7-phenylheptanoate
CID 139616773
methyl 5-amino-5-[2,4-di(propan-2-yl)phenyl]pentanoate
CID 60860655
methyl 4-amino-4-(4-ethoxyphenyl)butanoate
CID 60862003
bis(4-propan-2-yloxyphenyl) hexanedioate
CID 4299383
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753
methyl 4-amino-2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butanoate
CID 65298635
methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate
CID 60860320

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate?
The IUPAC name of methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate (CID 54927572) is methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate.
What is the SMILES notation for methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate?
The canonical SMILES for methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate is COC(=O)CCCC(N)c1ccc(OC(C)C)cc1.
What is the InChIKey of methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate?
The InChIKey is VQGNEXZBQBYFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)19-13-9-7-12(8-10-13)14(16)5-4-6-15(17)18-3/h7-11,14H,4-6,16H2,1-3H3.
What are the key properties of methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate?
methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate has a molecular weight of 265.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate is sourced from PubChem (CID 54927572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).