(2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone

C16H22N2O — CID 153453871

IUPAC(2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone
SMILESCc1ccc2c(c1)CN(C(=O)[C@@H](N)C1CCCC1)C2
InChIInChI=1S/C16H22N2O/c1-11-6-7-13-9-18(10-14(13)8-11)16(19)15(17)12-4-2-3-5-12/h6-8,12,15H,2-5,9-10,17H2,1H3/t15-/m0/s1
InChIKeyGNYRLYVBJHLPCU-HNNXBMFYSA-N
MW258.36 g/mol
LogP2.35
Rot. Bonds2

About (2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone

(2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone (PubChem CID 153453871) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone
PubChem CID153453871
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone
SMILESCc1ccc2c(c1)CN(C(=O)[C@@H](N)C1CCCC1)C2
InChIInChI=1S/C16H22N2O/c1-11-6-7-13-9-18(10-14(13)8-11)16(19)15(17)12-4-2-3-5-12/h6-8,12,15H,2-5,9-10,17H2,1H3/t15-/m0/s1
InChIKeyGNYRLYVBJHLPCU-HNNXBMFYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone
CID 120792528
(2S)-2-amino-1-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 129229113
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone
CID 170902557
1-[5-[amino(cyclohexyl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one
CID 82175305
2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 176578739
(4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one
CID 128526297
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
(2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 87844260
ethyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 168897909
2-amino-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120786261
2-amino-1-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 121203488
(2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone
CID 143833323

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone?
The IUPAC name of (2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone (CID 153453871) is (2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone.
What is the SMILES notation for (2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone?
The canonical SMILES for (2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone is Cc1ccc2c(c1)CN(C(=O)[C@@H](N)C1CCCC1)C2.
What is the InChIKey of (2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone?
The InChIKey is GNYRLYVBJHLPCU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-6-7-13-9-18(10-14(13)8-11)16(19)15(17)12-4-2-3-5-12/h6-8,12,15H,2-5,9-10,17H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone?
(2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone has a molecular weight of 258.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone is sourced from PubChem (CID 153453871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).