tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate

C24H37N3O4 — CID 124881497

About tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate

tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate (PubChem CID 124881497) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate
• PubChem CID: 124881497
• Molecular Formula: C24H37N3O4
• Molecular Weight: 431.58 g/mol
• Exact Mass: 431.28
• IUPAC Name: tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate
• SMILES: C[C@H](N[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C)C(=O)N[C@H]1CCOc2ccccc21
• InChI: InChI=1S/C24H37N3O4/c1-15-11-13-27(23(29)31-24(4,5)6)17(3)21(15)25-16(2)22(28)26-19-12-14-30-20-10-8-7-9-18(19)20/h7-10,15-17,19,21,25H,11-14H2,1-6H3,(H,26,28)/t15-,16+,17+,19+,21-/m1/s1
• InChIKey: BDHHDZHTZOLZIQ-ZFHIRANCSA-N
• XLogP: 3.64
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.58
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate?

The IUPAC name of tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate (CID 124881497) is tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate?

The canonical SMILES for tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate is C[C@H](N[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C)C(=O)N[C@H]1CCOc2ccccc21.

What is the InChIKey of tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate?

The InChIKey is BDHHDZHTZOLZIQ-ZFHIRANCSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-15-11-13-27(23(29)31-24(4,5)6)17(3)21(15)25-16(2)22(28)26-19-12-14-30-20-10-8-7-9-18(19)20/h7-10,15-17,19,21,25H,11-14H2,1-6H3,(H,26,28)/t15-,16+,17+,19+,21-/m1/s1.

What are the key properties of tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate?

tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate has a molecular weight of 431.58 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 124881497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).