(1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide

About (1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide

(1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide (PubChem CID 137205704) has the molecular formula C18H17F2N3O4 and a molecular weight of 377.35 g/mol. Its IUPAC name is (1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide.

Molecular Properties

Compound Name	(1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
PubChem CID	137205704
Molecular Formula	C18H17F2N3O4
Molecular Weight	377.35 g/mol
Exact Mass	377.12
IUPAC Name	(1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SMILES	C[C@@H]1C[C@H](N)c2c(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c(C=O)n21
InChI	InChI=1S/C18H17F2N3O4/c1-8-4-12(21)15-14(17(26)16(25)13(7-24)23(8)15)18(27)22-6-9-2-3-10(19)5-11(9)20/h2-3,5,7-8,12,25H,4,6,21H2,1H3,(H,22,27)/t8-,12+/m1/s1
InChIKey	USTUEENONLKUMH-PELKAZGASA-N
XLogP	1.54
TPSA	114.42 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.35
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide?

The IUPAC name of (1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide (CID 137205704) is (1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide.

What is the SMILES notation for (1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide?

The canonical SMILES for (1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide is C[C@@H]1C[C@H](N)c2c(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c(C=O)n21.

What is the InChIKey of (1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide?

The InChIKey is USTUEENONLKUMH-PELKAZGASA-N. The full InChI is InChI=1S/C18H17F2N3O4/c1-8-4-12(21)15-14(17(26)16(25)13(7-24)23(8)15)18(27)22-6-9-2-3-10(19)5-11(9)20/h2-3,5,7-8,12,25H,4,6,21H2,1H3,(H,22,27)/t8-,12+/m1/s1.

What are the key properties of (1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide?

(1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide has a molecular weight of 377.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,3R)-1-amino-N-[(2,4-difluorophenyl)methyl]-5-formyl-6-hydroxy-3-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carboxamide is sourced from PubChem (CID 137205704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).