N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

C22H30F2N4O2 — CID 70306655

IUPACN-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESNC(=O)[C@H](CC(F)(F)Cc1ccccc1)NC(=O)N1CC2(CCN(C3CC3)CC2)C1
InChIInChI=1S/C22H30F2N4O2/c23-22(24,12-16-4-2-1-3-5-16)13-18(19(25)29)26-20(30)28-14-21(15-28)8-10-27(11-9-21)17-6-7-17/h1-5,17-18H,6-15H2,(H2,25,29)(H,26,30)/t18-/m0/s1
InChIKeySUOPCOGOJDKUHA-SFHVURJKSA-N
MW420.50 g/mol
LogP2.38
Rot. Bonds7

About N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 70306655) has the molecular formula C22H30F2N4O2 and a molecular weight of 420.50 g/mol. Its IUPAC name is N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID70306655
Molecular FormulaC22H30F2N4O2
Molecular Weight420.50 g/mol
Exact Mass420.23
IUPAC NameN-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESNC(=O)[C@H](CC(F)(F)Cc1ccccc1)NC(=O)N1CC2(CCN(C3CC3)CC2)C1
InChIInChI=1S/C22H30F2N4O2/c23-22(24,12-16-4-2-1-3-5-16)13-18(19(25)29)26-20(30)28-14-21(15-28)8-10-27(11-9-21)17-6-7-17/h1-5,17-18H,6-15H2,(H2,25,29)(H,26,30)/t18-/m0/s1
InChIKeySUOPCOGOJDKUHA-SFHVURJKSA-N
XLogP2.38
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 70306655) is N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is NC(=O)[C@H](CC(F)(F)Cc1ccccc1)NC(=O)N1CC2(CCN(C3CC3)CC2)C1.
What is the InChIKey of N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is SUOPCOGOJDKUHA-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30F2N4O2/c23-22(24,12-16-4-2-1-3-5-16)13-18(19(25)29)26-20(30)28-14-21(15-28)8-10-27(11-9-21)17-6-7-17/h1-5,17-18H,6-15H2,(H2,25,29)(H,26,30)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 70306655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).