methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate

C24H23NO4 — CID 102295273

IUPACmethyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C24H23NO4/c1-28-24(27)20-12-7-15-25(20)23(26)22-19-11-6-5-10-18(19)13-14-21(22)29-16-17-8-3-2-4-9-17/h2-6,8-11,13-14,20H,7,12,15-16H2,1H3/t20-/m0/s1
InChIKeyCFWKYLRLADTPMJ-FQEVSTJZSA-N
MW389.45 g/mol
LogP4.20
Rot. Bonds5

About methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate

methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 102295273) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate
PubChem CID102295273
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Namemethyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C24H23NO4/c1-28-24(27)20-12-7-15-25(20)23(26)22-19-11-6-5-10-18(19)13-14-21(22)29-16-17-8-3-2-4-9-17/h2-6,8-11,13-14,20H,7,12,15-16H2,1H3/t20-/m0/s1
InChIKeyCFWKYLRLADTPMJ-FQEVSTJZSA-N
XLogP4.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119355480
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
1-O-benzyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane;2-methylprop-1-ene
CID 143105082
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 61163138
methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate
CID 610761
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410192
benzyl (2R)-1-[6-[(2R)-2-phenylmethoxycarbonylpyrrolidine-1-carbonyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylate
CID 54082754
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate (CID 102295273) is methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C(=O)c1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is CFWKYLRLADTPMJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23NO4/c1-28-24(27)20-12-7-15-25(20)23(26)22-19-11-6-5-10-18(19)13-14-21(22)29-16-17-8-3-2-4-9-17/h2-6,8-11,13-14,20H,7,12,15-16H2,1H3/t20-/m0/s1.
What are the key properties of methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate?
methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 102295273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).