tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate

C19H30N4O6 — CID 16746575

IUPACtert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate
SMILESC[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N4O6/c1-10(16(26)28-18(3,4)5)22-14(24)12-13(21-9-20-12)15(25)23-11(2)17(27)29-19(6,7)8/h9-11H,1-8H3,(H,20,21)(H,22,24)(H,23,25)/t10-,11-/m0/s1
InChIKeyQYZTZKMYYJDIKU-QWRGUYRKSA-N
MW410.47 g/mol
LogP1.33
Rot. Bonds6

About tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate

tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate (PubChem CID 16746575) has the molecular formula C19H30N4O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate
PubChem CID16746575
Molecular FormulaC19H30N4O6
Molecular Weight410.47 g/mol
Exact Mass410.22
IUPAC Nametert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate
SMILESC[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N4O6/c1-10(16(26)28-18(3,4)5)22-14(24)12-13(21-9-20-12)15(25)23-11(2)17(27)29-19(6,7)8/h9-11H,1-8H3,(H,20,21)(H,22,24)(H,23,25)/t10-,11-/m0/s1
InChIKeyQYZTZKMYYJDIKU-QWRGUYRKSA-N
XLogP1.33
TPSA139.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate?
The IUPAC name of tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate (CID 16746575) is tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate is C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate?
The InChIKey is QYZTZKMYYJDIKU-QWRGUYRKSA-N. The full InChI is InChI=1S/C19H30N4O6/c1-10(16(26)28-18(3,4)5)22-14(24)12-13(21-9-20-12)15(25)23-11(2)17(27)29-19(6,7)8/h9-11H,1-8H3,(H,20,21)(H,22,24)(H,23,25)/t10-,11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate?
tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate has a molecular weight of 410.47 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate is sourced from PubChem (CID 16746575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).