cyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride

C14H20ClNO2 — CID 71756580

IUPACcyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1
InChIInChI=1S/C14H19NO2.ClH/c15-13(10-11-6-2-1-3-7-11)14(16)17-12-8-4-5-9-12;/h1-3,6-7,12-13H,4-5,8-10,15H2;1H/t13-;/m0./s1
InChIKeyQWSZAZFVAIBABP-ZOWNYOTGSA-N
MW269.77 g/mol
LogP2.46
Rot. Bonds4

About cyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride

cyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride (PubChem CID 71756580) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is cyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namecyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
PubChem CID71756580
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namecyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1
InChIInChI=1S/C14H19NO2.ClH/c15-13(10-11-6-2-1-3-7-11)14(16)17-12-8-4-5-9-12;/h1-3,6-7,12-13H,4-5,8-10,15H2;1H/t13-;/m0./s1
InChIKeyQWSZAZFVAIBABP-ZOWNYOTGSA-N
XLogP2.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride?
The IUPAC name of cyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride (CID 71756580) is cyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for cyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride?
The canonical SMILES for cyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride?
The InChIKey is QWSZAZFVAIBABP-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c15-13(10-11-6-2-1-3-7-11)14(16)17-12-8-4-5-9-12;/h1-3,6-7,12-13H,4-5,8-10,15H2;1H/t13-;/m0./s1.
What are the key properties of cyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride?
cyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2S)-2-amino-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 71756580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).