(3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid

C15H20N4O3 — CID 86283568

IUPAC(3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid
SMILESCN(C)C(=O)c1cncc(N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)n1
InChIInChI=1S/C15H20N4O3/c1-18(2)14(20)12-5-16-6-13(17-12)19-7-10(9-3-4-9)11(8-19)15(21)22/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,21,22)/t10-,11+/m0/s1
InChIKeyZMVDIXROFRONOP-WDEREUQCSA-N
MW304.35 g/mol
LogP0.73
Rot. Bonds4

About (3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid

(3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 86283568) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID86283568
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid
SMILESCN(C)C(=O)c1cncc(N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)n1
InChIInChI=1S/C15H20N4O3/c1-18(2)14(20)12-5-16-6-13(17-12)19-7-10(9-3-4-9)11(8-19)15(21)22/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,21,22)/t10-,11+/m0/s1
InChIKeyZMVDIXROFRONOP-WDEREUQCSA-N
XLogP0.73
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 133115900
(3S,4S)-4-cyclopropyl-1-(6-methylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 72858383
N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide
CID 95502447
2-[(3R,4S)-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(1-methyltriazol-4-yl)pyrrolidin-3-yl]acetic acid
CID 118781690
6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 114678867
N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 131913909
(3S,4S)-4-cyclopropyl-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 70761393
6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450319
6-[(3R,4R)-3-[[ethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 72862370
methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 66449146
(3S,4S)-4-cyclopropyl-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 74238233
(3S,4S)-4-cyclopropyl-1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 139019048

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid (CID 86283568) is (3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid is CN(C)C(=O)c1cncc(N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)n1.
What is the InChIKey of (3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZMVDIXROFRONOP-WDEREUQCSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-18(2)14(20)12-5-16-6-13(17-12)19-7-10(9-3-4-9)11(8-19)15(21)22/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,21,22)/t10-,11+/m0/s1.
What are the key properties of (3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid?
(3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 86283568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).