(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid

C17H31N3O7 — CID 88792495

About (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid

(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid (PubChem CID 88792495) has the molecular formula C17H31N3O7 and a molecular weight of 389.45 g/mol. Its IUPAC name is (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid.

Molecular Properties

• Compound Name: (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid
• PubChem CID: 88792495
• Molecular Formula: C17H31N3O7
• Molecular Weight: 389.45 g/mol
• Exact Mass: 389.22
• IUPAC Name: (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid
• SMILES: CC(C)(C)OC(=O)NCCN(CC(=O)C[C@H](N)C(=O)O)C(=O)OC(C)(C)C
• InChI: InChI=1S/C17H31N3O7/c1-16(2,3)26-14(24)19-7-8-20(15(25)27-17(4,5)6)10-11(21)9-12(18)13(22)23/h12H,7-10,18H2,1-6H3,(H,19,24)(H,22,23)/t12-/m0/s1
• InChIKey: USJLHQCOOZKTSW-LBPRGKRZSA-N
• XLogP: 1.12
• TPSA: 148.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.45
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid?

The IUPAC name of (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid (CID 88792495) is (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid.

What is the SMILES notation for (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid?

The canonical SMILES for (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid is CC(C)(C)OC(=O)NCCN(CC(=O)C[C@H](N)C(=O)O)C(=O)OC(C)(C)C.

What is the InChIKey of (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid?

The InChIKey is USJLHQCOOZKTSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H31N3O7/c1-16(2,3)26-14(24)19-7-8-20(15(25)27-17(4,5)6)10-11(21)9-12(18)13(22)23/h12H,7-10,18H2,1-6H3,(H,19,24)(H,22,23)/t12-/m0/s1.

What are the key properties of (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid?

(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid has a molecular weight of 389.45 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-4-oxopentanoic acid is sourced from PubChem (CID 88792495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).