[(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone

C22H30N2O4 — CID 22852923

IUPAC[(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC(OC)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C22H30N2O4/c1-27-22(28-2)19-10-6-12-24(19)21(26)18-9-5-11-23(18)20(25)17-13-15-7-3-4-8-16(15)14-17/h3-4,7-8,17-19,22H,5-6,9-14H2,1-2H3/t18-,19-/m0/s1
InChIKeyBMFYTYVEFVTICL-OALUTQOASA-N
MW386.49 g/mol
LogP2.00
Rot. Bonds5

About [(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone

[(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 22852923) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is [(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID22852923
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name[(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC(OC)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C22H30N2O4/c1-27-22(28-2)19-10-6-12-24(19)21(26)18-9-5-11-23(18)20(25)17-13-15-7-3-4-8-16(15)14-17/h3-4,7-8,17-19,22H,5-6,9-14H2,1-2H3/t18-,19-/m0/s1
InChIKeyBMFYTYVEFVTICL-OALUTQOASA-N
XLogP2.00
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
[(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone
CID 44540070
(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
CID 107126335
2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 54377731
1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile
CID 106892896
2,3-dihydro-1H-inden-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 106893430
1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone
CID 102032429
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893347
2-(4-methoxyphenoxy)-1-[(2S)-1-[(2R)-1-(2-phenoxyacetyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
CID 67771461
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 106892485
methyl (3S)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 141158539
2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 106893221

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone (CID 22852923) is [(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone is COC(OC)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)C1Cc2ccccc2C1.
What is the InChIKey of [(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is BMFYTYVEFVTICL-OALUTQOASA-N. The full InChI is InChI=1S/C22H30N2O4/c1-27-22(28-2)19-10-6-12-24(19)21(26)18-9-5-11-23(18)20(25)17-13-15-7-3-4-8-16(15)14-17/h3-4,7-8,17-19,22H,5-6,9-14H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of [(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone?
[(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 386.49 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 22852923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).