methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate

C18H20N2O3 — CID 97284758

IUPACmethyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate
SMILESCOC(=O)C[C@H]1CCN(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C18H20N2O3/c1-23-17(21)11-13-9-10-20(12-13)18(22)19-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13H,9-12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyWYOSEYDRKSFKNN-CYBMUJFWSA-N
MW312.37 g/mol
LogP3.26
Rot. Bonds3

About methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate

methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate (PubChem CID 97284758) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate
PubChem CID97284758
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate
SMILESCOC(=O)C[C@H]1CCN(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C18H20N2O3/c1-23-17(21)11-13-9-10-20(12-13)18(22)19-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13H,9-12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyWYOSEYDRKSFKNN-CYBMUJFWSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 114802238
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597013
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
methyl 2-[1-[(2,3,5-trifluorophenyl)carbamoyl]pyrrolidin-3-yl]acetate
CID 74235650
4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 51128290
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
CID 23140557
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 111383892

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate?
The IUPAC name of methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate (CID 97284758) is methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate is COC(=O)C[C@H]1CCN(C(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate?
The InChIKey is WYOSEYDRKSFKNN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-17(21)11-13-9-10-20(12-13)18(22)19-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13H,9-12H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate?
methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate has a molecular weight of 312.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate is sourced from PubChem (CID 97284758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).