(2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

C18H31N3O7 — CID 70286556

About (2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

(2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (PubChem CID 70286556) has the molecular formula C18H31N3O7 and a molecular weight of 401.46 g/mol. Its IUPAC name is (2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
• PubChem CID: 70286556
• Molecular Formula: C18H31N3O7
• Molecular Weight: 401.46 g/mol
• Exact Mass: 401.22
• IUPAC Name: (2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N(C(=O)CN)[C@@H]1CCN[C@](C(=O)O)(C(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C18H31N3O7/c1-16(2,3)27-14(25)18(13(23)24)9-11(7-8-20-18)21(12(22)10-19)15(26)28-17(4,5)6/h11,20H,7-10,19H2,1-6H3,(H,23,24)/t11-,18-/m1/s1
• InChIKey: DTFQETJMOYVUQG-ADLMAVQZSA-N
• XLogP: 0.63
• TPSA: 148.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.46
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?

The IUPAC name of (2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (CID 70286556) is (2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.

What is the SMILES notation for (2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?

The canonical SMILES for (2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is CC(C)(C)OC(=O)N(C(=O)CN)[C@@H]1CCN[C@](C(=O)O)(C(=O)OC(C)(C)C)C1.

What is the InChIKey of (2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?

The InChIKey is DTFQETJMOYVUQG-ADLMAVQZSA-N. The full InChI is InChI=1S/C18H31N3O7/c1-16(2,3)27-14(25)18(13(23)24)9-11(7-8-20-18)21(12(22)10-19)15(26)28-17(4,5)6/h11,20H,7-10,19H2,1-6H3,(H,23,24)/t11-,18-/m1/s1.

What are the key properties of (2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?

(2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid has a molecular weight of 401.46 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-4-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 70286556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).