[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium

C22H26N3O+ — CID 8645346

IUPAC[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
SMILESC[C@H]([NH2+]C[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C22H25N3O/c1-15(22(26)25-17-11-12-17)23-13-19(16-7-3-2-4-8-16)20-14-24-21-10-6-5-9-18(20)21/h2-10,14-15,17,19,23-24H,11-13H2,1H3,(H,25,26)/p+1/t15-,19-/m0/s1
InChIKeyASNLVUFOPYWOJC-KXBFYZLASA-O
MW348.47 g/mol
LogP2.53
Rot. Bonds7

About [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium (PubChem CID 8645346) has the molecular formula C22H26N3O+ and a molecular weight of 348.47 g/mol. Its IUPAC name is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
PubChem CID8645346
Molecular FormulaC22H26N3O+
Molecular Weight348.47 g/mol
Exact Mass348.21
IUPAC Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
SMILESC[C@H]([NH2+]C[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C22H25N3O/c1-15(22(26)25-17-11-12-17)23-13-19(16-7-3-2-4-8-16)20-14-24-21-10-6-5-9-18(20)21/h2-10,14-15,17,19,23-24H,11-13H2,1H3,(H,25,26)/p+1/t15-,19-/m0/s1
InChIKeyASNLVUFOPYWOJC-KXBFYZLASA-O
XLogP2.53
TPSA61.50 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium with MolForge

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Related Compounds

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645786
[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8514152
[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 8645405
[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 8645400
[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2R)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645174
[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645167
[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645172
(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8644968
[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 8644936
[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium
CID 9328017
[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 8645797
[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645734

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium?
The IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium (CID 8645346) is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium.
What is the SMILES notation for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium?
The canonical SMILES for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium is C[C@H]([NH2+]C[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC1CC1.
What is the InChIKey of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium?
The InChIKey is ASNLVUFOPYWOJC-KXBFYZLASA-O. The full InChI is InChI=1S/C22H25N3O/c1-15(22(26)25-17-11-12-17)23-13-19(16-7-3-2-4-8-16)20-14-24-21-10-6-5-9-18(20)21/h2-10,14-15,17,19,23-24H,11-13H2,1H3,(H,25,26)/p+1/t15-,19-/m0/s1.
What are the key properties of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium?
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium has a molecular weight of 348.47 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium is sourced from PubChem (CID 8645346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).