(3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid

C17H21NO4 — CID 129469474

IUPAC(3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
SMILESCOC[C@@]1(C(=O)O)CCN(C(=O)c2cccc3c2CCC3)C1
InChIInChI=1S/C17H21NO4/c1-22-11-17(16(20)21)8-9-18(10-17)15(19)14-7-3-5-12-4-2-6-13(12)14/h3,5,7H,2,4,6,8-11H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyYFJFZSBDNPPKJB-QGZVFWFLSA-N
MW303.36 g/mol
LogP1.74
Rot. Bonds4

About (3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid

(3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid (PubChem CID 129469474) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
PubChem CID129469474
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
SMILESCOC[C@@]1(C(=O)O)CCN(C(=O)c2cccc3c2CCC3)C1
InChIInChI=1S/C17H21NO4/c1-22-11-17(16(20)21)8-9-18(10-17)15(19)14-7-3-5-12-4-2-6-13(12)14/h3,5,7H,2,4,6,8-11H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyYFJFZSBDNPPKJB-QGZVFWFLSA-N
XLogP1.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid (CID 129469474) is (3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid is COC[C@@]1(C(=O)O)CCN(C(=O)c2cccc3c2CCC3)C1.
What is the InChIKey of (3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YFJFZSBDNPPKJB-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO4/c1-22-11-17(16(20)21)8-9-18(10-17)15(19)14-7-3-5-12-4-2-6-13(12)14/h3,5,7H,2,4,6,8-11H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129469474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).