1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid

C15H20N4O3 — CID 95825399

IUPAC1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid
SMILESCC(=O)N1CCC[C@@H]1c1nc(C)cc(N2CC(C(=O)O)C2)n1
InChIInChI=1S/C15H20N4O3/c1-9-6-13(18-7-11(8-18)15(21)22)17-14(16-9)12-4-3-5-19(12)10(2)20/h6,11-12H,3-5,7-8H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeySECACFYALVMKDU-GFCCVEGCSA-N
MW304.35 g/mol
LogP0.99
Rot. Bonds3

About 1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid

1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid (PubChem CID 95825399) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid
PubChem CID95825399
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid
SMILESCC(=O)N1CCC[C@@H]1c1nc(C)cc(N2CC(C(=O)O)C2)n1
InChIInChI=1S/C15H20N4O3/c1-9-6-13(18-7-11(8-18)15(21)22)17-14(16-9)12-4-3-5-19(12)10(2)20/h6,11-12H,3-5,7-8H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeySECACFYALVMKDU-GFCCVEGCSA-N
XLogP0.99
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064509
1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124973760
1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 127244749
5-[2-(1-acetylpiperidin-2-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110133765
1-[(2R)-2-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95842240
1-[(2S)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95843343
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122051160
3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
CID 124975785
3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid
CID 66510103
1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone
CID 95825544
N-cyclopropyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide
CID 171328002

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid (CID 95825399) is 1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid is CC(=O)N1CCC[C@@H]1c1nc(C)cc(N2CC(C(=O)O)C2)n1.
What is the InChIKey of 1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid?
The InChIKey is SECACFYALVMKDU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9-6-13(18-7-11(8-18)15(21)22)17-14(16-9)12-4-3-5-19(12)10(2)20/h6,11-12H,3-5,7-8H2,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid?
1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid is sourced from PubChem (CID 95825399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).