1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid

C14H21N3O3 — CID 156603949

IUPAC1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1CN(Cc2cc(=O)[nH]c(C)n2)CC1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-3-4-10-6-17(8-12(10)14(19)20)7-11-5-13(18)16-9(2)15-11/h5,10,12H,3-4,6-8H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyXXMIDBFFDMTHJT-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.01
Rot. Bonds5

About 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid

1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid (PubChem CID 156603949) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid
PubChem CID156603949
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1CN(Cc2cc(=O)[nH]c(C)n2)CC1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-3-4-10-6-17(8-12(10)14(19)20)7-11-5-13(18)16-9(2)15-11/h5,10,12H,3-4,6-8H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyXXMIDBFFDMTHJT-UHFFFAOYSA-N
XLogP1.01
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid (CID 156603949) is 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid is CCCC1CN(Cc2cc(=O)[nH]c(C)n2)CC1C(=O)O.
What is the InChIKey of 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid?
The InChIKey is XXMIDBFFDMTHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-4-10-6-17(8-12(10)14(19)20)7-11-5-13(18)16-9(2)15-11/h5,10,12H,3-4,6-8H2,1-2H3,(H,19,20)(H,15,16,18).
What are the key properties of 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid?
1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 156603949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).