(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid

C12H12N4O3 — CID 119371770

IUPAC(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cn2cccnc2n1
InChIInChI=1S/C12H12N4O3/c17-10(16-6-1-3-9(16)11(18)19)8-7-15-5-2-4-13-12(15)14-8/h2,4-5,7,9H,1,3,6H2,(H,18,19)/t9-/m1/s1
InChIKeyLVESVURDJXLNIC-SECBINFHSA-N
MW260.25 g/mol
LogP0.42
Rot. Bonds2

About (2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119371770) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119371770
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cn2cccnc2n1
InChIInChI=1S/C12H12N4O3/c17-10(16-6-1-3-9(16)11(18)19)8-7-15-5-2-4-13-12(15)14-8/h2,4-5,7,9H,1,3,6H2,(H,18,19)/t9-/m1/s1
InChIKeyLVESVURDJXLNIC-SECBINFHSA-N
XLogP0.42
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 124695711
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 125152678
imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94480249
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
imidazo[1,2-a]pyrimidin-2-yl-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 96574709
(2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 71877303
imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603261
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95602985
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
[(4R,4aR,9aR)-5-methyl-4-phenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 92608279
1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56915855
1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 19790874

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 119371770) is (2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1cn2cccnc2n1.
What is the InChIKey of (2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LVESVURDJXLNIC-SECBINFHSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-10(16-6-1-3-9(16)11(18)19)8-7-15-5-2-4-13-12(15)14-8/h2,4-5,7,9H,1,3,6H2,(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).