2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

C20H34N4O7 — CID 143418775

About 2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid (PubChem CID 143418775) has the molecular formula C20H34N4O7 and a molecular weight of 442.51 g/mol. Its IUPAC name is 2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
• PubChem CID: 143418775
• Molecular Formula: C20H34N4O7
• Molecular Weight: 442.51 g/mol
• Exact Mass: 442.24
• IUPAC Name: 2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
• SMILES: CCCC(N)C(=O)C(=O)NCC(=O)NC(C(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1
• InChI: InChI=1S/C20H34N4O7/c1-5-6-13(21)16(26)17(27)22-11-14(25)23-15(18(28)29)12-7-9-24(10-8-12)19(30)31-20(2,3)4/h12-13,15H,5-11,21H2,1-4H3,(H,22,27)(H,23,25)(H,28,29)
• InChIKey: PMOYVSIZMUAJDI-UHFFFAOYSA-N
• XLogP: 0.02
• TPSA: 168.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.51
LogP ≤ 5	0.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?

The IUPAC name of 2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid (CID 143418775) is 2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid.

What is the SMILES notation for 2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?

The canonical SMILES for 2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid is CCCC(N)C(=O)C(=O)NCC(=O)NC(C(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1.

What is the InChIKey of 2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?

The InChIKey is PMOYVSIZMUAJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O7/c1-5-6-13(21)16(26)17(27)22-11-14(25)23-15(18(28)29)12-7-9-24(10-8-12)19(30)31-20(2,3)4/h12-13,15H,5-11,21H2,1-4H3,(H,22,27)(H,23,25)(H,28,29).

What are the key properties of 2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?

2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid has a molecular weight of 442.51 g/mol, XLogP of 0.02, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(3-amino-2-oxohexanoyl)amino]acetyl]amino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 143418775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).