2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C22H23F3N4O4 — CID 134285175

IUPAC2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCNC(=O)C(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)n2c1CCC2
InChIInChI=1S/C22H23F3N4O4/c1-10-15(18(30)20(32)28-22(2,3)21(33)26-4)14-6-5-7-29(14)17(10)19(31)27-11-8-12(23)16(25)13(24)9-11/h8-9H,5-7H2,1-4H3,(H,26,33)(H,27,31)(H,28,32)
InChIKeyYZDRZPVVZQTPKH-UHFFFAOYSA-N
MW464.44 g/mol
LogP2.24
Rot. Bonds6

About 2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide

2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 134285175) has the molecular formula C22H23F3N4O4 and a molecular weight of 464.44 g/mol. Its IUPAC name is 2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
PubChem CID134285175
Molecular FormulaC22H23F3N4O4
Molecular Weight464.44 g/mol
Exact Mass464.17
IUPAC Name2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCNC(=O)C(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)n2c1CCC2
InChIInChI=1S/C22H23F3N4O4/c1-10-15(18(30)20(32)28-22(2,3)21(33)26-4)14-6-5-7-29(14)17(10)19(31)27-11-8-12(23)16(25)13(24)9-11/h8-9H,5-7H2,1-4H3,(H,26,33)(H,27,31)(H,28,32)
InChIKeyYZDRZPVVZQTPKH-UHFFFAOYSA-N
XLogP2.24
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The IUPAC name of 2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 134285175) is 2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide.
What is the SMILES notation for 2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The canonical SMILES for 2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide is CNC(=O)C(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)n2c1CCC2.
What is the InChIKey of 2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The InChIKey is YZDRZPVVZQTPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O4/c1-10-15(18(30)20(32)28-22(2,3)21(33)26-4)14-6-5-7-29(14)17(10)19(31)27-11-8-12(23)16(25)13(24)9-11/h8-9H,5-7H2,1-4H3,(H,26,33)(H,27,31)(H,28,32).
What are the key properties of 2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 464.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoacetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 134285175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).