benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate

C19H21N3O4 — CID 99936099

IUPACbenzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCn1cccc(C(=O)N2CC[C@H](NC(=O)OCc3ccccc3)C2)c1=O
InChIInChI=1S/C19H21N3O4/c1-21-10-5-8-16(17(21)23)18(24)22-11-9-15(12-22)20-19(25)26-13-14-6-3-2-4-7-14/h2-8,10,15H,9,11-13H2,1H3,(H,20,25)/t15-/m0/s1
InChIKeyFSCLXXSPLJNHMR-HNNXBMFYSA-N
MW355.39 g/mol
LogP1.53
Rot. Bonds4

About benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate

benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 99936099) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate
PubChem CID99936099
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Namebenzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCn1cccc(C(=O)N2CC[C@H](NC(=O)OCc3ccccc3)C2)c1=O
InChIInChI=1S/C19H21N3O4/c1-21-10-5-8-16(17(21)23)18(24)22-11-9-15(12-22)20-19(25)26-13-14-6-3-2-4-7-14/h2-8,10,15H,9,11-13H2,1H3,(H,20,25)/t15-/m0/s1
InChIKeyFSCLXXSPLJNHMR-HNNXBMFYSA-N
XLogP1.53
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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benzyl N-[(3R)-1-(2-fluoro-5-methoxybenzoyl)pyrrolidin-3-yl]carbamate
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benzyl N-[1-(2-fluoro-5-formylbenzoyl)pyrrolidin-3-yl]carbamate
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benzyl N-(1-acetylazetidin-3-yl)carbamate
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benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate
CID 66566535
benzyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
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benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 74240582
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
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benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate
CID 68593392
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
CID 77144045

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate (CID 99936099) is benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate is Cn1cccc(C(=O)N2CC[C@H](NC(=O)OCc3ccccc3)C2)c1=O.
What is the InChIKey of benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate?
The InChIKey is FSCLXXSPLJNHMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-21-10-5-8-16(17(21)23)18(24)22-11-9-15(12-22)20-19(25)26-13-14-6-3-2-4-7-14/h2-8,10,15H,9,11-13H2,1H3,(H,20,25)/t15-/m0/s1.
What are the key properties of benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate?
benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 355.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 99936099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).