methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate

C17H24N2O5 — CID 11934387

IUPACmethyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@H](C)N1CCC[C@@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C17H24N2O5/c1-11(16(20)18-17(21)24-4)19-9-5-6-14(19)13-8-7-12(22-2)10-15(13)23-3/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,18,20,21)/t11-,14+/m0/s1
InChIKeyWDIPNYZDDNMSRR-SMDDNHRTSA-N
MW336.39 g/mol
LogP2.11
Rot. Bonds5

About methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate

methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate (PubChem CID 11934387) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate
PubChem CID11934387
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namemethyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@H](C)N1CCC[C@@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C17H24N2O5/c1-11(16(20)18-17(21)24-4)19-9-5-6-14(19)13-8-7-12(22-2)10-15(13)23-3/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,18,20,21)/t11-,14+/m0/s1
InChIKeyWDIPNYZDDNMSRR-SMDDNHRTSA-N
XLogP2.11
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934325
(2R)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934327
(2R)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 11934315
(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934289
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934243
methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
CID 8856176
(2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11933934
1-[(2R)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one
CID 11934397
(2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11933842
4-[[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]amino]benzamide
CID 11933896
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate?
The IUPAC name of methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate (CID 11934387) is methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate.
What is the SMILES notation for methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate?
The canonical SMILES for methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate is COC(=O)NC(=O)[C@H](C)N1CCC[C@@H]1c1ccc(OC)cc1OC.
What is the InChIKey of methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate?
The InChIKey is WDIPNYZDDNMSRR-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-11(16(20)18-17(21)24-4)19-9-5-6-14(19)13-8-7-12(22-2)10-15(13)23-3/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,18,20,21)/t11-,14+/m0/s1.
What are the key properties of methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate?
methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate has a molecular weight of 336.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate is sourced from PubChem (CID 11934387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).