5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid

C16H24N4O4 — CID 166507581

IUPAC5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESCCN(C(=O)OC(C)(C)C)C1CCN(c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C16H24N4O4/c1-5-20(15(23)24-16(2,3)4)11-6-7-19(10-11)13-9-17-12(8-18-13)14(21)22/h8-9,11H,5-7,10H2,1-4H3,(H,21,22)
InChIKeyMEUZEPUJOAVYRG-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.01
Rot. Bonds4

About 5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid

5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 166507581) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID166507581
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESCCN(C(=O)OC(C)(C)C)C1CCN(c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C16H24N4O4/c1-5-20(15(23)24-16(2,3)4)11-6-7-19(10-11)13-9-17-12(8-18-13)14(21)22/h8-9,11H,5-7,10H2,1-4H3,(H,21,22)
InChIKeyMEUZEPUJOAVYRG-UHFFFAOYSA-N
XLogP2.01
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 175963719
CID 175963719
5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide
CID 173253748
tert-butyl N-ethyl-N-[1-[4-(thiaziridin-2-yl)phenyl]pyrrolidin-3-yl]carbamate
CID 143125201
lithium tert-butyl N-cyclopropyl-N-[(3R)-1-[5-(oxomethyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
CID 175506318
6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxylic acid
CID 175506304
3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid
CID 67045293
tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 59704510
tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate
CID 168891834
tert-butyl N-cyclopropyl-N-[[(3S)-1-[5-[2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)acetyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]carbamate
CID 170364113
5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122048917
5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 129470217
5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684743

Frequently Asked Questions

What is the IUPAC name of 5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid (CID 166507581) is 5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid is CCN(C(=O)OC(C)(C)C)C1CCN(c2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is MEUZEPUJOAVYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-5-20(15(23)24-16(2,3)4)11-6-7-19(10-11)13-9-17-12(8-18-13)14(21)22/h8-9,11H,5-7,10H2,1-4H3,(H,21,22).
What are the key properties of 5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid?
5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166507581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).