N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide

C16H25BrF2N4O3 — CID 175856085

IUPACN-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide
SMILESBr.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)C1NCC2CC(F)(F)CC21
InChIInChI=1S/C16H24F2N4O3.BrH/c17-16(18)5-9-7-21-12(10(9)6-16)15(25)22-11(13(19)23)4-8-2-1-3-20-14(8)24;/h8-12,21H,1-7H2,(H2,19,23)(H,20,24)(H,22,25);1H/t8-,9?,10?,11-,12?;/m0./s1
InChIKeyLYJMCGARKISGIU-XRDTZDIUSA-N
MW439.30 g/mol
LogP0.08
Rot. Bonds5

About N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide

N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide (PubChem CID 175856085) has the molecular formula C16H25BrF2N4O3 and a molecular weight of 439.30 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide
PubChem CID175856085
Molecular FormulaC16H25BrF2N4O3
Molecular Weight439.30 g/mol
Exact Mass438.11
IUPAC NameN-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide
SMILESBr.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)C1NCC2CC(F)(F)CC21
InChIInChI=1S/C16H24F2N4O3.BrH/c17-16(18)5-9-7-21-12(10(9)6-16)15(25)22-11(13(19)23)4-8-2-1-3-20-14(8)24;/h8-12,21H,1-7H2,(H2,19,23)(H,20,24)(H,22,25);1H/t8-,9?,10?,11-,12?;/m0./s1
InChIKeyLYJMCGARKISGIU-XRDTZDIUSA-N
XLogP0.08
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.30
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide (CID 175856085) is N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide is Br.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)C1NCC2CC(F)(F)CC21.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide?
The InChIKey is LYJMCGARKISGIU-XRDTZDIUSA-N. The full InChI is InChI=1S/C16H24F2N4O3.BrH/c17-16(18)5-9-7-21-12(10(9)6-16)15(25)22-11(13(19)23)4-8-2-1-3-20-14(8)24;/h8-12,21H,1-7H2,(H2,19,23)(H,20,24)(H,22,25);1H/t8-,9?,10?,11-,12?;/m0./s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide?
N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide has a molecular weight of 439.30 g/mol, XLogP of 0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide is sourced from PubChem (CID 175856085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).