1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid

About 1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid

1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid (PubChem CID 175799858) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid.

Molecular Properties

Compound Name	1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid
PubChem CID	175799858
Molecular Formula	C24H33N3O5S
Molecular Weight	475.61 g/mol
Exact Mass	475.21
IUPAC Name	1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid
SMILES	Cc1ncsc1-c1ccc([C@H](C)NC(=O)C2CC(O)CN2C(=O)CC(C)(C)C)cc1.O=CO
InChI	InChI=1S/C23H31N3O3S.CH2O2/c1-14(16-6-8-17(9-7-16)21-15(2)24-13-30-21)25-22(29)19-10-18(27)12-26(19)20(28)11-23(3,4)5;2-1-3/h6-9,13-14,18-19,27H,10-12H2,1-5H3,(H,25,29);1H,(H,2,3)/t14-,18?,19?;/m0./s1
InChIKey	RPXMLNMXZUNXOS-QEBUFZERSA-N
XLogP	3.39
TPSA	119.83 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.61
LogP ≤ 5	3.39
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 1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid?

The IUPAC name of 1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid (CID 175799858) is 1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid.

What is the SMILES notation for 1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid?

The canonical SMILES for 1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid is Cc1ncsc1-c1ccc([C@H](C)NC(=O)C2CC(O)CN2C(=O)CC(C)(C)C)cc1.O=CO.

What is the InChIKey of 1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid?

The InChIKey is RPXMLNMXZUNXOS-QEBUFZERSA-N. The full InChI is InChI=1S/C23H31N3O3S.CH2O2/c1-14(16-6-8-17(9-7-16)21-15(2)24-13-30-21)25-22(29)19-10-18(27)12-26(19)20(28)11-23(3,4)5;2-1-3/h6-9,13-14,18-19,27H,10-12H2,1-5H3,(H,25,29);1H,(H,2,3)/t14-,18?,19?;/m0./s1.

What are the key properties of 1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid?

1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid has a molecular weight of 475.61 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid is sourced from PubChem (CID 175799858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).