tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate

C22H28N2O3 — CID 35704649

IUPACtert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C22H28N2O3/c1-15(17-12-7-10-16-9-5-6-11-18(16)17)23-20(25)19-13-8-14-24(19)21(26)27-22(2,3)4/h5-7,9-12,15,19H,8,13-14H2,1-4H3,(H,23,25)/t15-,19+/m0/s1
InChIKeyDWYQFTQVFSRDKH-HNAYVOBHSA-N
MW368.48 g/mol
LogP4.42
Rot. Bonds3

About tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 35704649) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID35704649
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Nametert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C22H28N2O3/c1-15(17-12-7-10-16-9-5-6-11-18(16)17)23-20(25)19-13-8-14-24(19)21(26)27-22(2,3)4/h5-7,9-12,15,19H,8,13-14H2,1-4H3,(H,23,25)/t15-,19+/m0/s1
InChIKeyDWYQFTQVFSRDKH-HNAYVOBHSA-N
XLogP4.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate
CID 163236397
N-(1-naphthalen-1-ylethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47004895
tert-butyl 2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 55396395
tert-butyl (2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 51968674
tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 78806775
1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 15920376
tert-butyl 2-[1-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 55330650
tert-butyl (2S)-2-[[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 59924108
tert-butyl 2-(3-methylbutan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 73237927
1-O-tert-butyl 2-O-(naphthalen-1-ylmethyl) (2S)-pyrrolidine-1,2-dicarboxylate
CID 11908656
tert-butyl (3S)-3-[[(1S)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 175358217
tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 95179847

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate (CID 35704649) is tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate is C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc2ccccc12.
What is the InChIKey of tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is DWYQFTQVFSRDKH-HNAYVOBHSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(17-12-7-10-16-9-5-6-11-18(16)17)23-20(25)19-13-8-14-24(19)21(26)27-22(2,3)4/h5-7,9-12,15,19H,8,13-14H2,1-4H3,(H,23,25)/t15-,19+/m0/s1.
What are the key properties of tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 35704649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).