(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride

C16H25ClN2O — CID 119289813

IUPAC(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCCC1CCCC1
InChIInChI=1S/C16H24N2O.ClH/c17-15(12-14-8-2-1-3-9-14)16(19)18-11-10-13-6-4-5-7-13;/h1-3,8-9,13,15H,4-7,10-12,17H2,(H,18,19);1H/t15-;/m0./s1
InChIKeySARRKWQZFQTOAO-RSAXXLAASA-N
MW296.84 g/mol
LogP2.67
Rot. Bonds6

About (2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119289813) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
PubChem CID119289813
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCCC1CCCC1
InChIInChI=1S/C16H24N2O.ClH/c17-15(12-14-8-2-1-3-9-14)16(19)18-11-10-13-6-4-5-7-13;/h1-3,8-9,13,15H,4-7,10-12,17H2,(H,18,19);1H/t15-;/m0./s1
InChIKeySARRKWQZFQTOAO-RSAXXLAASA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide
CID 119290183
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119885023
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
2-amino-N-(2-cyclopentylethyl)-2-phenylacetamide;hydrochloride
CID 119289820
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2-cyclohexylethyl)propanamide;dihydrochloride
CID 119725748
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide
CID 119338181

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride (CID 119289813) is (2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)NCCC1CCCC1.
What is the InChIKey of (2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is SARRKWQZFQTOAO-RSAXXLAASA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c17-15(12-14-8-2-1-3-9-14)16(19)18-11-10-13-6-4-5-7-13;/h1-3,8-9,13,15H,4-7,10-12,17H2,(H,18,19);1H/t15-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119289813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).