(2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one

C18H22N2O — CID 84589154

IUPAC(2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCCC1Cc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O/c1-13(19)18(21)20-10-4-7-17(20)12-14-8-9-15-5-2-3-6-16(15)11-14/h2-3,5-6,8-9,11,13,17H,4,7,10,12,19H2,1H3/t13-,17?/m0/s1
InChIKeyDPKSXBBGCUWHPO-CWQZNGJJSA-N
MW282.39 g/mol
LogP2.72
Rot. Bonds3

About (2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one

(2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 84589154) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID84589154
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCCC1Cc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O/c1-13(19)18(21)20-10-4-7-17(20)12-14-8-9-15-5-2-3-6-16(15)11-14/h2-3,5-6,8-9,11,13,17H,4,7,10,12,19H2,1H3/t13-,17?/m0/s1
InChIKeyDPKSXBBGCUWHPO-CWQZNGJJSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119288459
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 155959590
2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid
CID 154860928
(2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one
CID 99634273
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one
CID 60938876
(2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid
CID 59901710
1-(2-benzylpyrrolidin-1-yl)-3-bromo-2-methylpropan-1-one
CID 159719020
2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one
CID 119316545
2-amino-1-[2-[[benzyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 77144158
benzyl N-[[(2R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 96554000
benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 66566751

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one (CID 84589154) is (2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCCC1Cc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is DPKSXBBGCUWHPO-CWQZNGJJSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(19)18(21)20-10-4-7-17(20)12-14-8-9-15-5-2-3-6-16(15)11-14/h2-3,5-6,8-9,11,13,17H,4,7,10,12,19H2,1H3/t13-,17?/m0/s1.
What are the key properties of (2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one?
(2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 282.39 g/mol, XLogP of 2.72, 3 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-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 84589154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).