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

C17H24N3O2+ — CID 8913527

IUPAC[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)[C@H](C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O2/c1-11(2)19-16(21)10-20(4)12(3)17(22)14-9-18-15-8-6-5-7-13(14)15/h5-9,11-12,18H,10H2,1-4H3,(H,19,21)/p+1/t12-/m1/s1
InChIKeyMJSJNGDYNMJCRD-GFCCVEGCSA-O
MW302.40 g/mol
LogP0.78
Rot. Bonds6

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

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8913527) has the molecular formula C17H24N3O2+ and a molecular weight of 302.40 g/mol. Its IUPAC name is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID8913527
Molecular FormulaC17H24N3O2+
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)[C@H](C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O2/c1-11(2)19-16(21)10-20(4)12(3)17(22)14-9-18-15-8-6-5-7-13(14)15/h5-9,11-12,18H,10H2,1-4H3,(H,19,21)/p+1/t12-/m1/s1
InChIKeyMJSJNGDYNMJCRD-GFCCVEGCSA-O
XLogP0.78
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium with MolForge

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
CID 8843041
(4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
CID 8540485
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810245
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
CID 8791398
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804430
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide
CID 60659810
[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8914802
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117283

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8913527) is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC(C)NC(=O)C[NH+](C)[C@H](C)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is MJSJNGDYNMJCRD-GFCCVEGCSA-O. The full InChI is InChI=1S/C17H23N3O2/c1-11(2)19-16(21)10-20(4)12(3)17(22)14-9-18-15-8-6-5-7-13(14)15/h5-9,11-12,18H,10H2,1-4H3,(H,19,21)/p+1/t12-/m1/s1.
What are the key properties of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 302.40 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8913527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).