3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C11H14N4O3 — CID 107589330

IUPAC3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Nc2cncnc2)C1C(=O)O
InChIInChI=1S/C11H14N4O3/c1-7-2-3-15(9(7)10(16)17)11(18)14-8-4-12-6-13-5-8/h4-7,9H,2-3H2,1H3,(H,14,18)(H,16,17)
InChIKeyWGDJAWGYJHHDTB-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.80
Rot. Bonds2

About 3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 107589330) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID107589330
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Nc2cncnc2)C1C(=O)O
InChIInChI=1S/C11H14N4O3/c1-7-2-3-15(9(7)10(16)17)11(18)14-8-4-12-6-13-5-8/h4-7,9H,2-3H2,1H3,(H,14,18)(H,16,17)
InChIKeyWGDJAWGYJHHDTB-UHFFFAOYSA-N
XLogP0.80
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(3,4,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782533
1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102776316
1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781629
1-[(4-ethoxyphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781463
1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781836
4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide
CID 104859349
(2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 107589213
1-[(4-bromophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071248
3-methyl-1-(1,3-thiazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102783080
1-[(3-chloro-4-cyanophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781746
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782049
3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071231

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 107589330) is 3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)Nc2cncnc2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WGDJAWGYJHHDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-2-3-15(9(7)10(16)17)11(18)14-8-4-12-6-13-5-8/h4-7,9H,2-3H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107589330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).