4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid

C11H13N3O3 — CID 102921512

IUPAC4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)c2cncnc2)CC1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-7-4-14(5-9(7)11(16)17)10(15)8-2-12-6-13-3-8/h2-3,6-7,9H,4-5H2,1H3,(H,16,17)
InChIKeyLORCJWBSZBQVQC-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.27
Rot. Bonds2

About 4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 102921512) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID102921512
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)c2cncnc2)CC1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-7-4-14(5-9(7)11(16)17)10(15)8-2-12-6-13-3-8/h2-3,6-7,9H,4-5H2,1H3,(H,16,17)
InChIKeyLORCJWBSZBQVQC-UHFFFAOYSA-N
XLogP0.27
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104956560
4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63721715
(3S,4S)-1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085428
1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722081
(3S,4S)-4-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952551
(3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122112133
4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 114819005
(3S,4S)-4-methyl-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952873
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
(3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122112028
(3S,4S)-4-methyl-1-(3,5,6-trimethylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 122112118

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid (CID 102921512) is 4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid is CC1CN(C(=O)c2cncnc2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LORCJWBSZBQVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-4-14(5-9(7)11(16)17)10(15)8-2-12-6-13-3-8/h2-3,6-7,9H,4-5H2,1H3,(H,16,17).
What are the key properties of 4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102921512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).