(2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid

C11H13N3O4 — CID 69232166

IUPAC(2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@H]2C(=O)O)nc(=O)[nH]1
InChIInChI=1S/C11H13N3O4/c1-6-5-7(13-11(18)12-6)9(15)14-4-2-3-8(14)10(16)17/h5,8H,2-4H2,1H3,(H,16,17)(H,12,13,18)/t8-/m0/s1
InChIKeySJIZPKQSCHGISG-QMMMGPOBSA-N
MW251.24 g/mol
LogP-0.23
Rot. Bonds2

About (2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 69232166) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is (2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID69232166
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name(2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@H]2C(=O)O)nc(=O)[nH]1
InChIInChI=1S/C11H13N3O4/c1-6-5-7(13-11(18)12-6)9(15)14-4-2-3-8(14)10(16)17/h5,8H,2-4H2,1H3,(H,16,17)(H,12,13,18)/t8-/m0/s1
InChIKeySJIZPKQSCHGISG-QMMMGPOBSA-N
XLogP-0.23
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 69232166) is (2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid is Cc1cc(C(=O)N2CCC[C@H]2C(=O)O)nc(=O)[nH]1.
What is the InChIKey of (2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SJIZPKQSCHGISG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-6-5-7(13-11(18)12-6)9(15)14-4-2-3-8(14)10(16)17/h5,8H,2-4H2,1H3,(H,16,17)(H,12,13,18)/t8-/m0/s1.
What are the key properties of (2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69232166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).