tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate

C18H30N4O5 — CID 101482073

About tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate

tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate (PubChem CID 101482073) has the molecular formula C18H30N4O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate.

Molecular Properties

• Compound Name: tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
• PubChem CID: 101482073
• Molecular Formula: C18H30N4O5
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.22
• IUPAC Name: tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
• SMILES: CC(C)(C)OC(=O)NCCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C18H30N4O5/c1-17(2,3)26-15(24)13(9-12-10-19-11-21-12)22-14(23)7-8-20-16(25)27-18(4,5)6/h10-11,13H,7-9H2,1-6H3,(H,19,21)(H,20,25)(H,22,23)/t13-/m1/s1
• InChIKey: DMGWFBXUSQPGQL-CYBMUJFWSA-N
• XLogP: 1.69
• TPSA: 122.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate?

The IUPAC name of tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate (CID 101482073) is tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate.

What is the SMILES notation for tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate?

The canonical SMILES for tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate is CC(C)(C)OC(=O)NCCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate?

The InChIKey is DMGWFBXUSQPGQL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H30N4O5/c1-17(2,3)26-15(24)13(9-12-10-19-11-21-12)22-14(23)7-8-20-16(25)27-18(4,5)6/h10-11,13H,7-9H2,1-6H3,(H,19,21)(H,20,25)(H,22,23)/t13-/m1/s1.

What are the key properties of tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate?

tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate has a molecular weight of 382.46 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate is sourced from PubChem (CID 101482073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).