(2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid

C19H22N4O4 — CID 170329941

IUPAC(2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
SMILESC[C@@H]1CC[C@H](COc2cnccc2-c2cc3c([nH]2)CCNC3=O)N1C(=O)O
InChIInChI=1S/C19H22N4O4/c1-11-2-3-12(23(11)19(25)26)10-27-17-9-20-6-4-13(17)16-8-14-15(22-16)5-7-21-18(14)24/h4,6,8-9,11-12,22H,2-3,5,7,10H2,1H3,(H,21,24)(H,25,26)/t11-,12-/m1/s1
InChIKeyPHMHLRCPAJLWJQ-VXGBXAGGSA-N
MW370.41 g/mol
LogP2.27
Rot. Bonds4

About (2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid

(2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid (PubChem CID 170329941) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
PubChem CID170329941
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name(2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
SMILESC[C@@H]1CC[C@H](COc2cnccc2-c2cc3c([nH]2)CCNC3=O)N1C(=O)O
InChIInChI=1S/C19H22N4O4/c1-11-2-3-12(23(11)19(25)26)10-27-17-9-20-6-4-13(17)16-8-14-15(22-16)5-7-21-18(14)24/h4,6,8-9,11-12,22H,2-3,5,7,10H2,1H3,(H,21,24)(H,25,26)/t11-,12-/m1/s1
InChIKeyPHMHLRCPAJLWJQ-VXGBXAGGSA-N
XLogP2.27
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid (CID 170329941) is (2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid is C[C@@H]1CC[C@H](COc2cnccc2-c2cc3c([nH]2)CCNC3=O)N1C(=O)O.
What is the InChIKey of (2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid?
The InChIKey is PHMHLRCPAJLWJQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11-2-3-12(23(11)19(25)26)10-27-17-9-20-6-4-13(17)16-8-14-15(22-16)5-7-21-18(14)24/h4,6,8-9,11-12,22H,2-3,5,7,10H2,1H3,(H,21,24)(H,25,26)/t11-,12-/m1/s1.
What are the key properties of (2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid?
(2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-methyl-5-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 170329941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).