(2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H15N5O4 — CID 104919539

IUPAC(2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1nnc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)nc1C
InChIInChI=1S/C11H15N5O4/c1-5-6(2)14-15-10(12-5)13-11(20)16-4-7(17)3-8(16)9(18)19/h7-8,17H,3-4H2,1-2H3,(H,18,19)(H,12,13,15,20)/t7-,8-/m1/s1
InChIKeyRJWQBQOWAAPAAL-HTQZYQBOSA-N
MW281.27 g/mol
LogP-0.46
Rot. Bonds2

About (2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 104919539) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID104919539
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name(2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1nnc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)nc1C
InChIInChI=1S/C11H15N5O4/c1-5-6(2)14-15-10(12-5)13-11(20)16-4-7(17)3-8(16)9(18)19/h7-8,17H,3-4H2,1-2H3,(H,18,19)(H,12,13,15,20)/t7-,8-/m1/s1
InChIKeyRJWQBQOWAAPAAL-HTQZYQBOSA-N
XLogP-0.46
TPSA128.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S,4R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843387
(2R,4R)-4-hydroxy-1-(pyrimidin-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999486
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid
CID 114388503
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 114388391
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
(2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196296
(2S)-4-hydroxy-1-(thiatriazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104983041
(2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 107589213
(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63844255
(2S)-1-[(2,5-dichloro-4-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 104727758
(2S,4R)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842531
(2S,4R)-4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842548

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 104919539) is (2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is Cc1nnc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)nc1C.
What is the InChIKey of (2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is RJWQBQOWAAPAAL-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-5-6(2)14-15-10(12-5)13-11(20)16-4-7(17)3-8(16)9(18)19/h7-8,17H,3-4H2,1-2H3,(H,18,19)(H,12,13,15,20)/t7-,8-/m1/s1.
What are the key properties of (2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104919539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).