[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium

C19H22N3O2+ — CID 8755557

IUPAC[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESC[C@](C#N)(NC(=O)C[NH2+][C@H](c1ccccc1)c1ccco1)C1CC1
InChIInChI=1S/C19H21N3O2/c1-19(13-20,15-9-10-15)22-17(23)12-21-18(16-8-5-11-24-16)14-6-3-2-4-7-14/h2-8,11,15,18,21H,9-10,12H2,1H3,(H,22,23)/p+1/t18-,19-/m1/s1
InChIKeyGOQFOYFJVGHJKR-RTBURBONSA-O
MW324.40 g/mol
LogP1.74
Rot. Bonds7

About [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium

[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium (PubChem CID 8755557) has the molecular formula C19H22N3O2+ and a molecular weight of 324.40 g/mol. Its IUPAC name is [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
PubChem CID8755557
Molecular FormulaC19H22N3O2+
Molecular Weight324.40 g/mol
Exact Mass324.17
IUPAC Name[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESC[C@](C#N)(NC(=O)C[NH2+][C@H](c1ccccc1)c1ccco1)C1CC1
InChIInChI=1S/C19H21N3O2/c1-19(13-20,15-9-10-15)22-17(23)12-21-18(16-8-5-11-24-16)14-6-3-2-4-7-14/h2-8,11,15,18,21H,9-10,12H2,1H3,(H,22,23)/p+1/t18-,19-/m1/s1
InChIKeyGOQFOYFJVGHJKR-RTBURBONSA-O
XLogP1.74
TPSA82.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium with MolForge

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Related Compounds

[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051298
2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7531377
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide
CID 94498516
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136272
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7750033
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133831
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755215
[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8755033
N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide
CID 111489142
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755063
2-(2-benzylsulfanylanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 42921588
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755061

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The IUPAC name of [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium (CID 8755557) is [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium.
What is the SMILES notation for [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The canonical SMILES for [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium is C[C@](C#N)(NC(=O)C[NH2+][C@H](c1ccccc1)c1ccco1)C1CC1.
What is the InChIKey of [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The InChIKey is GOQFOYFJVGHJKR-RTBURBONSA-O. The full InChI is InChI=1S/C19H21N3O2/c1-19(13-20,15-9-10-15)22-17(23)12-21-18(16-8-5-11-24-16)14-6-3-2-4-7-14/h2-8,11,15,18,21H,9-10,12H2,1H3,(H,22,23)/p+1/t18-,19-/m1/s1.
What are the key properties of [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium has a molecular weight of 324.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium is sourced from PubChem (CID 8755557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).