(2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide

C17H22N2O4 — CID 129434161

IUPAC(2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
SMILESCc1cc2c(cc1NC(=O)N1CCC[C@@H]1[C@H]1CCCO1)OCO2
InChIInChI=1S/C17H22N2O4/c1-11-8-15-16(23-10-22-15)9-12(11)18-17(20)19-6-2-4-13(19)14-5-3-7-21-14/h8-9,13-14H,2-7,10H2,1H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyYLXIRVOPEUVAGQ-ZIAGYGMSSA-N
MW318.37 g/mol
LogP2.90
Rot. Bonds2

About (2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide

(2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 129434161) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
PubChem CID129434161
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
SMILESCc1cc2c(cc1NC(=O)N1CCC[C@@H]1[C@H]1CCCO1)OCO2
InChIInChI=1S/C17H22N2O4/c1-11-8-15-16(23-10-22-15)9-12(11)18-17(20)19-6-2-4-13(19)14-5-3-7-21-14/h8-9,13-14H,2-7,10H2,1H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyYLXIRVOPEUVAGQ-ZIAGYGMSSA-N
XLogP2.90
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

(2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide
CID 126831875
(5aS,8aS)-N-(4-methylphenyl)-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine-5-carboxamide
CID 95770882
methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate
CID 129433240
ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate
CID 125142667
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
CID 47049665
2-[(6-methyl-1,3-benzodioxol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977573
3-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)carbamoyl]amino]propanoic acid
CID 122089234
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide
CID 5060533
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoacetic acid
CID 82496946
1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 115168904
N-phenyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
CID 110314561
1-acetyl-N-(6-amino-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 119617953

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide (CID 129434161) is (2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide is Cc1cc2c(cc1NC(=O)N1CCC[C@@H]1[C@H]1CCCO1)OCO2.
What is the InChIKey of (2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is YLXIRVOPEUVAGQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11-8-15-16(23-10-22-15)9-12(11)18-17(20)19-6-2-4-13(19)14-5-3-7-21-14/h8-9,13-14H,2-7,10H2,1H3,(H,18,20)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
(2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 129434161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).