(2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid

C16H24N4O3 — CID 122565251

IUPAC(2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCc1cc(N2C[C@H](O)C[C@H]2C(=O)O)nc(N2CCCCC2)n1
InChIInChI=1S/C16H24N4O3/c1-2-11-8-14(20-10-12(21)9-13(20)15(22)23)18-16(17-11)19-6-4-3-5-7-19/h8,12-13,21H,2-7,9-10H2,1H3,(H,22,23)/t12-,13+/m1/s1
InChIKeyQUJJLSCOEAPVBW-OLZOCXBDSA-N
MW320.39 g/mol
LogP1.05
Rot. Bonds4

About (2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 122565251) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID122565251
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCc1cc(N2C[C@H](O)C[C@H]2C(=O)O)nc(N2CCCCC2)n1
InChIInChI=1S/C16H24N4O3/c1-2-11-8-14(20-10-12(21)9-13(20)15(22)23)18-16(17-11)19-6-4-3-5-7-19/h8,12-13,21H,2-7,9-10H2,1H3,(H,22,23)/t12-,13+/m1/s1
InChIKeyQUJJLSCOEAPVBW-OLZOCXBDSA-N
XLogP1.05
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

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CID 97141817
(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-methylpiperazine-2-carboxylic acid
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CID 70768667
(3S,8aS)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137337908
(5R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
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4-[4-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylmorpholine
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1-[[(3R)-1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95210088
(2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154567287
N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 95922640
4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 50970168
(1S)-1-[5-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 124680026

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 122565251) is (2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid is CCc1cc(N2C[C@H](O)C[C@H]2C(=O)O)nc(N2CCCCC2)n1.
What is the InChIKey of (2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is QUJJLSCOEAPVBW-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-2-11-8-14(20-10-12(21)9-13(20)15(22)23)18-16(17-11)19-6-4-3-5-7-19/h8,12-13,21H,2-7,9-10H2,1H3,(H,22,23)/t12-,13+/m1/s1.
What are the key properties of (2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122565251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).