N-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide

C14H20N4O4 — CID 72895504

IUPACN-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)C[C@H]1NC(C)=O
InChIInChI=1S/C14H20N4O4/c1-3-4-9-6-18(7-11(9)16-8(2)19)13(21)10-5-15-14(22)17-12(10)20/h5,9,11H,3-4,6-7H2,1-2H3,(H,16,19)(H2,15,17,20,22)/t9-,11-/m1/s1
InChIKeyDNNRNJRHHRSPLI-MWLCHTKSSA-N
MW308.34 g/mol
LogP-0.56
Rot. Bonds4

About N-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 72895504) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide
PubChem CID72895504
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC NameN-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)C[C@H]1NC(C)=O
InChIInChI=1S/C14H20N4O4/c1-3-4-9-6-18(7-11(9)16-8(2)19)13(21)10-5-15-14(22)17-12(10)20/h5,9,11H,3-4,6-7H2,1-2H3,(H,16,19)(H2,15,17,20,22)/t9-,11-/m1/s1
InChIKeyDNNRNJRHHRSPLI-MWLCHTKSSA-N
XLogP-0.56
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide (CID 72895504) is N-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is DNNRNJRHHRSPLI-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-3-4-9-6-18(7-11(9)16-8(2)19)13(21)10-5-15-14(22)17-12(10)20/h5,9,11H,3-4,6-7H2,1-2H3,(H,16,19)(H2,15,17,20,22)/t9-,11-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 308.34 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72895504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).