methyl 5-amino-5-phenylpentanoate;hydrochloride

C12H18ClNO2 — CID 119031631

IUPACmethyl 5-amino-5-phenylpentanoate;hydrochloride
SMILESCOC(=O)CCCC(N)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-15-12(14)9-5-8-11(13)10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9,13H2,1H3;1H
InChIKeyHNQSMIIWGRAKTO-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.45
Rot. Bonds5

About methyl 5-amino-5-phenylpentanoate;hydrochloride

methyl 5-amino-5-phenylpentanoate;hydrochloride (PubChem CID 119031631) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is methyl 5-amino-5-phenylpentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-amino-5-phenylpentanoate;hydrochloride
PubChem CID119031631
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Namemethyl 5-amino-5-phenylpentanoate;hydrochloride
SMILESCOC(=O)CCCC(N)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-15-12(14)9-5-8-11(13)10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9,13H2,1H3;1H
InChIKeyHNQSMIIWGRAKTO-UHFFFAOYSA-N
XLogP2.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-5-phenylpentanoate;hydrochloride?
The IUPAC name of methyl 5-amino-5-phenylpentanoate;hydrochloride (CID 119031631) is methyl 5-amino-5-phenylpentanoate;hydrochloride.
What is the SMILES notation for methyl 5-amino-5-phenylpentanoate;hydrochloride?
The canonical SMILES for methyl 5-amino-5-phenylpentanoate;hydrochloride is COC(=O)CCCC(N)c1ccccc1.Cl.
What is the InChIKey of methyl 5-amino-5-phenylpentanoate;hydrochloride?
The InChIKey is HNQSMIIWGRAKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-15-12(14)9-5-8-11(13)10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9,13H2,1H3;1H.
What are the key properties of methyl 5-amino-5-phenylpentanoate;hydrochloride?
methyl 5-amino-5-phenylpentanoate;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-5-phenylpentanoate;hydrochloride is sourced from PubChem (CID 119031631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).