[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate

C22H32N2O4 — CID 30798104

IUPAC[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C22H32N2O4/c1-15(21(27)28-16(2)20(26)24-13-7-6-8-14-24)23-19(25)17-9-11-18(12-10-17)22(3,4)5/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,23,25)/t15-,16-/m0/s1
InChIKeyCGWJJJMBGQFLMI-HOTGVXAUSA-N
MW388.51 g/mol
LogP3.05
Rot. Bonds5

About [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate

[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate (PubChem CID 30798104) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
PubChem CID30798104
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C22H32N2O4/c1-15(21(27)28-16(2)20(26)24-13-7-6-8-14-24)23-19(25)17-9-11-18(12-10-17)22(3,4)5/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,23,25)/t15-,16-/m0/s1
InChIKeyCGWJJJMBGQFLMI-HOTGVXAUSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate with MolForge

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Related Compounds

[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8949811
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18280287
N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 9115909
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate
CID 30825149
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate
CID 26007765
[2-(azepan-1-yl)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 7564710
4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 25473091
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55576443
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide
CID 52505990
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate
CID 27343129
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-tert-butylbenzamide
CID 61121057

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate?
The IUPAC name of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate (CID 30798104) is [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate.
What is the SMILES notation for [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate?
The canonical SMILES for [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate is C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O[C@@H](C)C(=O)N1CCCCC1.
What is the InChIKey of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate?
The InChIKey is CGWJJJMBGQFLMI-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-15(21(27)28-16(2)20(26)24-13-7-6-8-14-24)23-19(25)17-9-11-18(12-10-17)22(3,4)5/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,23,25)/t15-,16-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate?
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate has a molecular weight of 388.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate is sourced from PubChem (CID 30798104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).