N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C15H24N4O4 — CID 91786566

IUPACN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O4/c1-9(2)18-6-11(12(7-18)23-4)16-13(20)8-19-5-10(3)14(21)17-15(19)22/h5,9,11-12H,6-8H2,1-4H3,(H,16,20)(H,17,21,22)/t11-,12-/m0/s1
InChIKeyLPTBOMPCUXTOJO-RYUDHWBXSA-N
MW324.38 g/mol
LogP-0.93
Rot. Bonds5

About N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 91786566) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID91786566
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O4/c1-9(2)18-6-11(12(7-18)23-4)16-13(20)8-19-5-10(3)14(21)17-15(19)22/h5,9,11-12H,6-8H2,1-4H3,(H,16,20)(H,17,21,22)/t11-,12-/m0/s1
InChIKeyLPTBOMPCUXTOJO-RYUDHWBXSA-N
XLogP-0.93
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60734726
N-[(3R,4S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 72919470
N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 56884269
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
(1S,3S,4S)-N-(cyclopropylmethyl)-3-hydroxy-4-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 157012689
N-[1-(3-hydroxycyclobutyl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 91767253
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 135115933
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 91762804
5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 133260540
(2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide
CID 6723546
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
CID 91794603
N-[1-(cyclohexen-1-yl)ethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 131917992

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 91786566) is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is LPTBOMPCUXTOJO-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-9(2)18-6-11(12(7-18)23-4)16-13(20)8-19-5-10(3)14(21)17-15(19)22/h5,9,11-12H,6-8H2,1-4H3,(H,16,20)(H,17,21,22)/t11-,12-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 91786566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).