[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate

C20H29N3O4 — CID 8861774

About [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate

[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate (PubChem CID 8861774) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate.

Molecular Properties

• Compound Name: [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate
• PubChem CID: 8861774
• Molecular Formula: C20H29N3O4
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.22
• IUPAC Name: [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate
• SMILES: C[C@@H](OC(=O)CCCCCNC(N)=O)C(=O)N[C@@H]1CCCc2ccccc21
• InChI: InChI=1S/C20H29N3O4/c1-14(27-18(24)12-3-2-6-13-22-20(21)26)19(25)23-17-11-7-9-15-8-4-5-10-16(15)17/h4-5,8,10,14,17H,2-3,6-7,9,11-13H2,1H3,(H,23,25)(H3,21,22,26)/t14-,17-/m1/s1
• InChIKey: SNVJIBZVHLZXCC-RHSMWYFYSA-N
• XLogP: 2.34
• TPSA: 110.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
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 [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate?

The IUPAC name of [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate (CID 8861774) is [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate.

What is the SMILES notation for [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate?

The canonical SMILES for [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate is C[C@@H](OC(=O)CCCCCNC(N)=O)C(=O)N[C@@H]1CCCc2ccccc21.

What is the InChIKey of [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate?

The InChIKey is SNVJIBZVHLZXCC-RHSMWYFYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-14(27-18(24)12-3-2-6-13-22-20(21)26)19(25)23-17-11-7-9-15-8-4-5-10-16(15)17/h4-5,8,10,14,17H,2-3,6-7,9,11-13H2,1H3,(H,23,25)(H3,21,22,26)/t14-,17-/m1/s1.

What are the key properties of [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate?

[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate has a molecular weight of 375.47 g/mol, XLogP of 2.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-(carbamoylamino)hexanoate is sourced from PubChem (CID 8861774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).