(2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid

C20H23NO6 — CID 6569645

IUPAC(2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid
SMILESCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(=O)O)ccc12
InChIInChI=1S/C20H23NO6/c1-3-5-13-10-18(23)27-19-12(2)16(8-7-14(13)19)26-11-17(22)21-9-4-6-15(21)20(24)25/h7-8,10,15H,3-6,9,11H2,1-2H3,(H,24,25)/t15-/m1/s1
InChIKeyVGBKUEYXIHVZRQ-OAHLLOKOSA-N
MW373.41 g/mol
LogP2.51
Rot. Bonds6

About (2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid (PubChem CID 6569645) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is (2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid
PubChem CID6569645
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name(2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid
SMILESCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(=O)O)ccc12
InChIInChI=1S/C20H23NO6/c1-3-5-13-10-18(23)27-19-12(2)16(8-7-14(13)19)26-11-17(22)21-9-4-6-15(21)20(24)25/h7-8,10,15H,3-6,9,11H2,1-2H3,(H,24,25)/t15-/m1/s1
InChIKeyVGBKUEYXIHVZRQ-OAHLLOKOSA-N
XLogP2.51
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[2-(2-Methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 3936970
7-(2-Oxo-2-pyrrolidin-1-yl-ethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 769357
3,4,8-Trimethyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one
CID 888670
N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 907403
N-Cyclopentyl-2-(4-methyl-2-oxo-2H-chromen-7-yloxy)-propionamide
CID 3111907
1-{[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-proline
CID 6352010
1-{[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}-L-proline
CID 6352291
7-[2-oxo-2-(piperidin-1-yl)ethoxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
CID 723335
1-(2-((4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)piperidine-4-carboxylic acid
CID 1776176
N,N-Diethyl-2-(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yloxy)-acetamide
CID 2910388
2-[(3-ethyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N,N-dimethylacetamide
CID 889425
Ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate
CID 1109013

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid (CID 6569645) is (2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid is CCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(=O)O)ccc12.
What is the InChIKey of (2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VGBKUEYXIHVZRQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO6/c1-3-5-13-10-18(23)27-19-12(2)16(8-7-14(13)19)26-11-17(22)21-9-4-6-15(21)20(24)25/h7-8,10,15H,3-6,9,11H2,1-2H3,(H,24,25)/t15-/m1/s1.
What are the key properties of (2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 6569645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).