(2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid

C14H19N3O4 — CID 79000392

IUPAC(2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(CCc1ccncc1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-16(7-4-10-2-5-15-6-3-10)14(21)17-9-11(18)8-12(17)13(19)20/h2-3,5-6,11-12,18H,4,7-9H2,1H3,(H,19,20)/t11-,12-/m1/s1
InChIKeyOITQJXINEUFGGI-VXGBXAGGSA-N
MW293.32 g/mol
LogP0.20
Rot. Bonds4

About (2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 79000392) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID79000392
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(CCc1ccncc1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-16(7-4-10-2-5-15-6-3-10)14(21)17-9-11(18)8-12(17)13(19)20/h2-3,5-6,11-12,18H,4,7-9H2,1H3,(H,19,20)/t11-,12-/m1/s1
InChIKeyOITQJXINEUFGGI-VXGBXAGGSA-N
XLogP0.20
TPSA93.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 65487736
(2R,4R)-1-[(4-chlorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000410
1-[(4-bromophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61415270
4-hydroxy-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61203228
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61200630
(2R,4R)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999862
(2S)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184805
1-[furan-3-ylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61422268
(2S,4S)-4-hydroxy-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79865146
4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61428576
(2S,4S)-4-hydroxy-1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713208

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 79000392) is (2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is CN(CCc1ccncc1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OITQJXINEUFGGI-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16(7-4-10-2-5-15-6-3-10)14(21)17-9-11(18)8-12(17)13(19)20/h2-3,5-6,11-12,18H,4,7-9H2,1H3,(H,19,20)/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).