methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C18H26N3O2+ — CID 9049883

IUPACmethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCc1[nH]c2ccccc2c1C(=O)[C@H](C)[NH+](C)CC(=O)NC(C)C
InChIInChI=1S/C18H25N3O2/c1-11(2)19-16(22)10-21(5)13(4)18(23)17-12(3)20-15-9-7-6-8-14(15)17/h6-9,11,13,20H,10H2,1-5H3,(H,19,22)/p+1/t13-/m0/s1
InChIKeyZHRYXRUMQXFXPP-ZDUSSCGKSA-O
MW316.43 g/mol
LogP1.09
Rot. Bonds6

About methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9049883) has the molecular formula C18H26N3O2+ and a molecular weight of 316.43 g/mol. Its IUPAC name is methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID9049883
Molecular FormulaC18H26N3O2+
Molecular Weight316.43 g/mol
Exact Mass316.20
IUPAC Namemethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCc1[nH]c2ccccc2c1C(=O)[C@H](C)[NH+](C)CC(=O)NC(C)C
InChIInChI=1S/C18H25N3O2/c1-11(2)19-16(22)10-21(5)13(4)18(23)17-12(3)20-15-9-7-6-8-14(15)17/h6-9,11,13,20H,10H2,1-5H3,(H,19,22)/p+1/t13-/m0/s1
InChIKeyZHRYXRUMQXFXPP-ZDUSSCGKSA-O
XLogP1.09
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9049883) is methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[NH+](C)CC(=O)NC(C)C.
What is the InChIKey of methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is ZHRYXRUMQXFXPP-ZDUSSCGKSA-O. The full InChI is InChI=1S/C18H25N3O2/c1-11(2)19-16(22)10-21(5)13(4)18(23)17-12(3)20-15-9-7-6-8-14(15)17/h6-9,11,13,20H,10H2,1-5H3,(H,19,22)/p+1/t13-/m0/s1.
What are the key properties of methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 316.43 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9049883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).