cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride

C17H26ClNO2 — CID 162724550

IUPACcyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride
SMILESC[C@](N)(Cc1ccccc1)C(=O)OCC1CCCCC1.Cl
InChIInChI=1S/C17H25NO2.ClH/c1-17(18,12-14-8-4-2-5-9-14)16(19)20-13-15-10-6-3-7-11-15;/h2,4-5,8-9,15H,3,6-7,10-13,18H2,1H3;1H/t17-;/m0./s1
InChIKeyVLZCCABPMKZENI-LMOVPXPDSA-N
MW311.85 g/mol
LogP3.49
Rot. Bonds5

About cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride

cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride (PubChem CID 162724550) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namecyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride
PubChem CID162724550
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Namecyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride
SMILESC[C@](N)(Cc1ccccc1)C(=O)OCC1CCCCC1.Cl
InChIInChI=1S/C17H25NO2.ClH/c1-17(18,12-14-8-4-2-5-9-14)16(19)20-13-15-10-6-3-7-11-15;/h2,4-5,8-9,15H,3,6-7,10-13,18H2,1H3;1H/t17-;/m0./s1
InChIKeyVLZCCABPMKZENI-LMOVPXPDSA-N
XLogP3.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7191546
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CID 62383262
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
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CID 162214178
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
cyclopropylmethyl 2-bromo-2-methylpropanoate
CID 134896391
benzoic acid;methoxymethylcyclohexane
CID 175415905
(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one
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CID 164676045

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride?
The IUPAC name of cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride (CID 162724550) is cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride?
The canonical SMILES for cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride is C[C@](N)(Cc1ccccc1)C(=O)OCC1CCCCC1.Cl.
What is the InChIKey of cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride?
The InChIKey is VLZCCABPMKZENI-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H25NO2.ClH/c1-17(18,12-14-8-4-2-5-9-14)16(19)20-13-15-10-6-3-7-11-15;/h2,4-5,8-9,15H,3,6-7,10-13,18H2,1H3;1H/t17-;/m0./s1.
What are the key properties of cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride?
cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride has a molecular weight of 311.85 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 162724550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).