4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide

C16H18N2O3 — CID 11536540

IUPAC4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCOC1=O
InChIInChI=1S/C16H18N2O3/c19-15(18-14-8-9-21-16(14)20)7-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19)/t14-/m0/s1
InChIKeyUKODXSIQIJZFFJ-AWEZNQCLSA-N
MW286.33 g/mol
LogP1.92
Rot. Bonds5

About 4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide

4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide (PubChem CID 11536540) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide
PubChem CID11536540
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCOC1=O
InChIInChI=1S/C16H18N2O3/c19-15(18-14-8-9-21-16(14)20)7-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19)/t14-/m0/s1
InChIKeyUKODXSIQIJZFFJ-AWEZNQCLSA-N
XLogP1.92
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Zolmitriptan
CID 60857
Bq-123
CID 443289
N-Acetyl-L-tryptophan
CID 700653
N-Acetyltryptophan
CID 2002
2-azaniumyl-3-(1H-indol-3-yl)propanoate
CID 4099458
Valyltryptophan
CID 168182
Hypaphorine
CID 442106
Golotimod
CID 6992140
(2S)-2-ammonio-3-(1H-indol-3-yl)propanoate
CID 6923516
Indole-3-acetyl-aspartic acid
CID 4656408
Ala-Trp
CID 85362
N-acetyl-D-tryptophan
CID 439917

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide (CID 11536540) is 4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide is O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCOC1=O.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The InChIKey is UKODXSIQIJZFFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15(18-14-8-9-21-16(14)20)7-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19)/t14-/m0/s1.
What are the key properties of 4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide?
4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide has a molecular weight of 286.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[(3S)-2-oxooxolan-3-yl]butanamide is sourced from PubChem (CID 11536540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).