N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C19H33F2N5O2 — CID 70308711

About N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 70308711) has the molecular formula C19H33F2N5O2 and a molecular weight of 401.50 g/mol. Its IUPAC name is N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
• PubChem CID: 70308711
• Molecular Formula: C19H33F2N5O2
• Molecular Weight: 401.50 g/mol
• Exact Mass: 401.26
• IUPAC Name: N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
• SMILES: CCCN1CC2(CCN(C(=O)N[C@@H](CC(C)(F)F)C(=O)NC3(N)CC3)CC2)C1
• InChI: InChI=1S/C19H33F2N5O2/c1-3-8-25-12-18(13-25)6-9-26(10-7-18)16(28)23-14(11-17(2,20)21)15(27)24-19(22)4-5-19/h14H,3-13,22H2,1-2H3,(H,23,28)(H,24,27)/t14-/m0/s1
• InChIKey: LUOJPJYFJSSTQH-AWEZNQCLSA-N
• XLogP: 1.48
• TPSA: 90.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.50
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The IUPAC name of N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 70308711) is N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

What is the SMILES notation for N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The canonical SMILES for N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is CCCN1CC2(CCN(C(=O)N[C@@H](CC(C)(F)F)C(=O)NC3(N)CC3)CC2)C1.

What is the InChIKey of N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The InChIKey is LUOJPJYFJSSTQH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H33F2N5O2/c1-3-8-25-12-18(13-25)6-9-26(10-7-18)16(28)23-14(11-17(2,20)21)15(27)24-19(22)4-5-19/h14H,3-13,22H2,1-2H3,(H,23,28)(H,24,27)/t14-/m0/s1.

What are the key properties of N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 401.50 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 70308711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).