benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate

C23H22N2O3 — CID 6958654

IUPACbenzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccc2ccccc2c1)[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H22N2O3/c26-22(24-20-13-12-18-9-4-5-10-19(18)15-20)21-11-6-14-25(21)23(27)28-16-17-7-2-1-3-8-17/h1-5,7-10,12-13,15,21H,6,11,14,16H2,(H,24,26)/t21-/m1/s1
InChIKeyJNQYOPCQZVPOCL-OAQYLSRUSA-N
MW374.44 g/mol
LogP4.58
Rot. Bonds4

About benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate

benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 6958654) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID6958654
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Namebenzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccc2ccccc2c1)[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H22N2O3/c26-22(24-20-13-12-18-9-4-5-10-19(18)15-20)21-11-6-14-25(21)23(27)28-16-17-7-2-1-3-8-17/h1-5,7-10,12-13,15,21H,6,11,14,16H2,(H,24,26)/t21-/m1/s1
InChIKeyJNQYOPCQZVPOCL-OAQYLSRUSA-N
XLogP4.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 10109941
benzyl 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 84577175
benzyl 2-[(4-iodophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 46502069
benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127517
benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 91182280
benzyl (2S)-2-[[4-[3-[4-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]phenyl]-1H-pyrazol-5-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 58533215
benzyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 5194558
(2S)-1-(2-aminoacetyl)-N-naphthalen-2-ylpyrrolidine-2-carboxamide
CID 7408102
benzyl (2S)-2-[[3-(3-methoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582416
benzyl (2S)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 58763318
tert-butyl (2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 11937062
benzyl 2-[(3-quinolin-3-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 69025072

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate (CID 6958654) is benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate is O=C(Nc1ccc2ccccc2c1)[C@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is JNQYOPCQZVPOCL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(24-20-13-12-18-9-4-5-10-19(18)15-20)21-11-6-14-25(21)23(27)28-16-17-7-2-1-3-8-17/h1-5,7-10,12-13,15,21H,6,11,14,16H2,(H,24,26)/t21-/m1/s1.
What are the key properties of benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 6958654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).