4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C12H16N4O4 — CID 62846490

IUPAC4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cnc(CNC(=O)N2CC(O)CC2C(=O)O)cn1
InChIInChI=1S/C12H16N4O4/c1-7-3-14-8(4-13-7)5-15-12(20)16-6-9(17)2-10(16)11(18)19/h3-4,9-10,17H,2,5-6H2,1H3,(H,15,20)(H,18,19)
InChIKeyZEPJVEVCGXZANB-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.49
Rot. Bonds3

About 4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 62846490) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID62846490
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cnc(CNC(=O)N2CC(O)CC2C(=O)O)cn1
InChIInChI=1S/C12H16N4O4/c1-7-3-14-8(4-13-7)5-15-12(20)16-6-9(17)2-10(16)11(18)19/h3-4,9-10,17H,2,5-6H2,1H3,(H,15,20)(H,18,19)
InChIKeyZEPJVEVCGXZANB-UHFFFAOYSA-N
XLogP-0.49
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-4-hydroxy-1-[(6-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78999350
(2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114128690
(2S,4R)-4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842548
(2R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106037747
(2S,4R)-4-hydroxy-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842711
(2R,4R)-1-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79005050
(2R,4R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106374163
(2S)-4-hydroxy-1-[(2-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61203885
4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61200630
(2S,4R)-1-[(5-ethylthiophen-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106005542
(2S,4S)-1-[(2-ethylphenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712406
(2S,4R)-1-[(2-ethylphenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64693701

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 62846490) is 4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is Cc1cnc(CNC(=O)N2CC(O)CC2C(=O)O)cn1.
What is the InChIKey of 4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZEPJVEVCGXZANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-7-3-14-8(4-13-7)5-15-12(20)16-6-9(17)2-10(16)11(18)19/h3-4,9-10,17H,2,5-6H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62846490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).