4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid

C12H16N4O3 — CID 63720370

IUPAC4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(CC(=O)Nc2ncccn2)CC1C(=O)O
InChIInChI=1S/C12H16N4O3/c1-8-5-16(6-9(8)11(18)19)7-10(17)15-12-13-3-2-4-14-12/h2-4,8-9H,5-7H2,1H3,(H,18,19)(H,13,14,15,17)
InChIKeyWGDVWMBUCKYWDL-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.07
Rot. Bonds4

About 4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63720370) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID63720370
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(CC(=O)Nc2ncccn2)CC1C(=O)O
InChIInChI=1S/C12H16N4O3/c1-8-5-16(6-9(8)11(18)19)7-10(17)15-12-13-3-2-4-14-12/h2-4,8-9H,5-7H2,1H3,(H,18,19)(H,13,14,15,17)
InChIKeyWGDVWMBUCKYWDL-UHFFFAOYSA-N
XLogP0.07
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 79410787
2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide
CID 65450346
1-[2-(3-chloroanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720544
1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719829
2-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxylic acid
CID 106744778
1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721076
methyl (3S)-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-3-carboxylate
CID 115537541
(3S,4S)-1-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120650
methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate
CID 115537416
1-[2-(butylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720004
2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide
CID 107408147
(3S,4S)-1-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120902

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid (CID 63720370) is 4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid is CC1CN(CC(=O)Nc2ncccn2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WGDVWMBUCKYWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-5-16(6-9(8)11(18)19)7-10(17)15-12-13-3-2-4-14-12/h2-4,8-9H,5-7H2,1H3,(H,18,19)(H,13,14,15,17).
What are the key properties of 4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).