(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride

C15H23ClN2O — CID 119288459

IUPAC(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCC1CCc1ccccc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12(16)15(18)17-11-5-8-14(17)10-9-13-6-3-2-4-7-13;/h2-4,6-7,12,14H,5,8-11,16H2,1H3;1H/t12-,14?;/m0./s1
InChIKeyNNUOSUQZAUQKFR-GUDMUQDVSA-N
MW282.81 g/mol
LogP2.38
Rot. Bonds4

About (2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride

(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119288459) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
PubChem CID119288459
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCC1CCc1ccccc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12(16)15(18)17-11-5-8-14(17)10-9-13-6-3-2-4-7-13;/h2-4,6-7,12,14H,5,8-11,16H2,1H3;1H/t12-,14?;/m0./s1
InChIKeyNNUOSUQZAUQKFR-GUDMUQDVSA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
benzyl N-[[(2R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 96554000
2-amino-1-[2-[[benzyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 77144158
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
4-amino-3-methoxy-1-[2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120588726
4-amino-3-methoxy-1-[2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one
CID 120588727
benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 66566751
benzyl N-[[1-(2-aminopropanoyl)pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 77144060
(2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107218083
(2S)-2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217869
(2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 84589154

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride (CID 119288459) is (2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride is C[C@H](N)C(=O)N1CCCC1CCc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is NNUOSUQZAUQKFR-GUDMUQDVSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-12(16)15(18)17-11-5-8-14(17)10-9-13-6-3-2-4-7-13;/h2-4,6-7,12,14H,5,8-11,16H2,1H3;1H/t12-,14?;/m0./s1.
What are the key properties of (2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119288459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).