[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid

C11H20N4O6 — CID 138591868

About [1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid

[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid (PubChem CID 138591868) has the molecular formula C11H20N4O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is [1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid
• PubChem CID: 138591868
• Molecular Formula: C11H20N4O6
• Molecular Weight: 304.30 g/mol
• Exact Mass: 304.14
• IUPAC Name: [1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid
• SMILES: CC(C)(NC(=O)C(CCCNC(=O)O)NC(=O)O)C(N)=O
• InChI: InChI=1S/C11H20N4O6/c1-11(2,8(12)17)15-7(16)6(14-10(20)21)4-3-5-13-9(18)19/h6,13-14H,3-5H2,1-2H3,(H2,12,17)(H,15,16)(H,18,19)(H,20,21)
• InChIKey: VWMYKDPUOTWGLY-UHFFFAOYSA-N
• XLogP: -0.95
• TPSA: 170.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	304.30
LogP ≤ 5	-0.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid?

The IUPAC name of [1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid (CID 138591868) is [1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid.

What is the SMILES notation for [1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid?

The canonical SMILES for [1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid is CC(C)(NC(=O)C(CCCNC(=O)O)NC(=O)O)C(N)=O.

What is the InChIKey of [1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid?

The InChIKey is VWMYKDPUOTWGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O6/c1-11(2,8(12)17)15-7(16)6(14-10(20)21)4-3-5-13-9(18)19/h6,13-14H,3-5H2,1-2H3,(H2,12,17)(H,15,16)(H,18,19)(H,20,21).

What are the key properties of [1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid?

[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid has a molecular weight of 304.30 g/mol, XLogP of -0.95, 8 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 138591868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).