methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride

C12H18ClNO2 — CID 137346959

IUPACmethyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
SMILESCOC(=O)[C@H](N)CCCc1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-15-12(14)11(13)9-5-8-10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9,13H2,1H3;1H/t11-;/m1./s1
InChIKeyFMCZLXCPUBWHOD-RFVHGSKJSA-N
MW243.73 g/mol
LogP1.93
Rot. Bonds5

About methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride

methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride (PubChem CID 137346959) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
PubChem CID137346959
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Namemethyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
SMILESCOC(=O)[C@H](N)CCCc1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-15-12(14)11(13)9-5-8-10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9,13H2,1H3;1H/t11-;/m1./s1
InChIKeyFMCZLXCPUBWHOD-RFVHGSKJSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-6-phenylhexanoate
CID 76830671
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
acetic acid;methyl (2S)-2-amino-4-phenylbutanoate
CID 170899372
methyl 2-amino-5-pyridin-4-ylpentanoate
CID 116851646
methyl 2-amino-5-(3-fluorophenyl)pentanoate
CID 116851642
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908
(2S)-2-amino-5-phenylpentanethioic S-acid
CID 57090129
methyl 2-amino-4-(4-octylphenyl)butanoate;hydrochloride
CID 22618877
methyl 2-(1-bromoethyl)-5-phenylpentanoate
CID 175234788
methyl 2-fluoro-6-phenylhexanoate
CID 46222020
ethanol;methyl 2-amino-3-phenylpropanoate;hydrochloride
CID 174956794

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride (CID 137346959) is methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride is COC(=O)[C@H](N)CCCc1ccccc1.Cl.
What is the InChIKey of methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride?
The InChIKey is FMCZLXCPUBWHOD-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-15-12(14)11(13)9-5-8-10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9,13H2,1H3;1H/t11-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride?
methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride is sourced from PubChem (CID 137346959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).