[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium

C16H25N4O3+ — CID 8767934

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
SMILESC[NH+](CC(=O)NC(C)(C)C)[C@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C16H24N4O3/c1-16(2,3)19-12(21)10-20(4)13(14(22)18-15(17)23)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3,(H,19,21)(H3,17,18,22,23)/p+1/t13-/m0/s1
InChIKeyZBGDFSRKNVUIGL-ZDUSSCGKSA-O
MW321.40 g/mol
LogP-0.65
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium

[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium (PubChem CID 8767934) has the molecular formula C16H25N4O3+ and a molecular weight of 321.40 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
PubChem CID8767934
Molecular FormulaC16H25N4O3+
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
SMILESC[NH+](CC(=O)NC(C)(C)C)[C@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C16H24N4O3/c1-16(2,3)19-12(21)10-20(4)13(14(22)18-15(17)23)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3,(H,19,21)(H3,17,18,22,23)/p+1/t13-/m0/s1
InChIKeyZBGDFSRKNVUIGL-ZDUSSCGKSA-O
XLogP-0.65
TPSA105.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8768622
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium
CID 8768184
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium
CID 8768496
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8551653
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8516766
(5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8971597
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 8787108
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium
CID 9208318
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
CID 8767219
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 8767377
3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 103796335
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium (CID 8767934) is [2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium is C[NH+](CC(=O)NC(C)(C)C)[C@H](C(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The InChIKey is ZBGDFSRKNVUIGL-ZDUSSCGKSA-O. The full InChI is InChI=1S/C16H24N4O3/c1-16(2,3)19-12(21)10-20(4)13(14(22)18-15(17)23)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3,(H,19,21)(H3,17,18,22,23)/p+1/t13-/m0/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium has a molecular weight of 321.40 g/mol, XLogP of -0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium is sourced from PubChem (CID 8767934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).