[(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate

C16H19NO3 — CID 153373309

IUPAC[(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)O[C@H]1CCCCO1
InChIInChI=1S/C16H19NO3/c18-15(20-16-7-3-4-10-19-16)9-8-12-11-17-14-6-2-1-5-13(12)14/h1-2,5-6,11,16-17H,3-4,7-10H2/t16-/m0/s1
InChIKeyHXQNLHRVNKESCX-INIZCTEOSA-N
MW273.33 g/mol
LogP3.17
Rot. Bonds4

About [(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate

[(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate (PubChem CID 153373309) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is [(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate
PubChem CID153373309
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name[(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)O[C@H]1CCCCO1
InChIInChI=1S/C16H19NO3/c18-15(20-16-7-3-4-10-19-16)9-8-12-11-17-14-6-2-1-5-13(12)14/h1-2,5-6,11,16-17H,3-4,7-10H2/t16-/m0/s1
InChIKeyHXQNLHRVNKESCX-INIZCTEOSA-N
XLogP3.17
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-2-yl 3-(1H-indol-3-yl)propanoate
CID 142492756
[(3S,4S,5R,6S)-4,5,6-tris[3-(1H-indol-3-yl)propanoyloxy]oxan-3-yl] 3-(1H-indol-3-yl)propanoate
CID 146662821
(2S,3S,4S,5R)-3,4,5,6-tetrakis[3-(1H-indol-3-yl)propanoyloxy]oxane-2-carboxylic acid
CID 146662836
[(4S,5R)-3,4,5-tri(propanoyloxy)oxan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 163893061
[(2S,3R,4R,5R)-3,4,5-tri(propanoyloxy)oxan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 146662879
(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide
CID 94824186
3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 35220767
2-[(2S,3R,4S,5R)-3,4,5-tris[3-(1H-indol-3-yl)propanoyloxy]oxan-2-yl]oxybenzoic acid
CID 156653715
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one
CID 110156926
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169328

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate (CID 153373309) is [(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate is O=C(CCc1c[nH]c2ccccc12)O[C@H]1CCCCO1.
What is the InChIKey of [(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is HXQNLHRVNKESCX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(20-16-7-3-4-10-19-16)9-8-12-11-17-14-6-2-1-5-13(12)14/h1-2,5-6,11,16-17H,3-4,7-10H2/t16-/m0/s1.
What are the key properties of [(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate?
[(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 273.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 153373309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).