methyl 7-amino-7-phenylheptanoate

C14H21NO2 — CID 139616773

IUPACmethyl 7-amino-7-phenylheptanoate
SMILESCOC(=O)CCCCCC(N)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-17-14(16)11-7-3-6-10-13(15)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11,15H2,1H3
InChIKeyRSCOGYRQXUUVRE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.81
Rot. Bonds7

About methyl 7-amino-7-phenylheptanoate

methyl 7-amino-7-phenylheptanoate (PubChem CID 139616773) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 7-amino-7-phenylheptanoate.

Molecular Properties

Compound Namemethyl 7-amino-7-phenylheptanoate
PubChem CID139616773
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 7-amino-7-phenylheptanoate
SMILESCOC(=O)CCCCCC(N)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-17-14(16)11-7-3-6-10-13(15)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11,15H2,1H3
InChIKeyRSCOGYRQXUUVRE-UHFFFAOYSA-N
XLogP2.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
methyl 8-methoxy-8-phenyloctanoate
CID 170851952
methyl 8-amino-7-phenyloctanoate
CID 10060632
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
methyl 10-amino-11-phenylundecanoate;hydrochloride
CID 141254127
methyl 5,5-diphenylpentanoate
CID 10923549
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
methyl (5S)-5-amino-5-pyridin-3-ylpentanoate
CID 52951908
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate
CID 54927572
methyl 6-[(3-amino-2-methyl-3-phenylpropanoyl)amino]hexanoate
CID 119686216
methyl 6-amino-6-(3-chloro-4-methoxyphenyl)hexanoate
CID 60860664

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-7-phenylheptanoate?
The IUPAC name of methyl 7-amino-7-phenylheptanoate (CID 139616773) is methyl 7-amino-7-phenylheptanoate.
What is the SMILES notation for methyl 7-amino-7-phenylheptanoate?
The canonical SMILES for methyl 7-amino-7-phenylheptanoate is COC(=O)CCCCCC(N)c1ccccc1.
What is the InChIKey of methyl 7-amino-7-phenylheptanoate?
The InChIKey is RSCOGYRQXUUVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-14(16)11-7-3-6-10-13(15)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11,15H2,1H3.
What are the key properties of methyl 7-amino-7-phenylheptanoate?
methyl 7-amino-7-phenylheptanoate has a molecular weight of 235.33 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-7-phenylheptanoate is sourced from PubChem (CID 139616773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).