(2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

C15H19N3O2 — CID 107217230

IUPAC(2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C15H19N3O2/c16-13(15(20)18-6-5-11(19)9-18)7-10-8-17-14-4-2-1-3-12(10)14/h1-4,8,11,13,17,19H,5-7,9,16H2/t11-,13+/m1/s1
InChIKeyLKQHEXHHPOUIIO-YPMHNXCESA-N
MW273.34 g/mol
LogP0.63
Rot. Bonds3

About (2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

(2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 107217230) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID107217230
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C15H19N3O2/c16-13(15(20)18-6-5-11(19)9-18)7-10-8-17-14-4-2-1-3-12(10)14/h1-4,8,11,13,17,19H,5-7,9,16H2/t11-,13+/m1/s1
InChIKeyLKQHEXHHPOUIIO-YPMHNXCESA-N
XLogP0.63
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 22691497
(2S)-2-amino-1-(4-ethylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 119956827
(2S)-2-amino-3-(1H-indol-3-yl)-1-piperidin-1-ylpropan-1-one
CID 770507
(2S)-2-amino-1-(azocan-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 119955806
(2S)-2-amino-3-(1H-indol-3-yl)-1-(3-methoxypiperidin-1-yl)propan-1-one
CID 119956655
(2S)-2-amino-3-(1H-indol-3-yl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 119958014
(2S)-2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 119957177
1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 119956056
(2S)-2-amino-3-(1H-indol-3-yl)-1-(4-propan-2-ylazepan-1-yl)propan-1-one;hydrochloride
CID 119957426
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 119957331
(2S)-2-amino-3-(1H-indol-3-yl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119957336
N-[[1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]methyl]acetamide;hydrochloride
CID 119956947

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (CID 107217230) is (2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is LKQHEXHHPOUIIO-YPMHNXCESA-N. The full InChI is InChI=1S/C15H19N3O2/c16-13(15(20)18-6-5-11(19)9-18)7-10-8-17-14-4-2-1-3-12(10)14/h1-4,8,11,13,17,19H,5-7,9,16H2/t11-,13+/m1/s1.
What are the key properties of (2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
(2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 273.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 107217230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).