cyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate

C15H23N3O4 — CID 143605855

IUPACcyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate
SMILESC=C[C@H](NC(=O)OC1CCCC1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C15H23N3O4/c1-2-11(17-15(21)22-10-6-3-4-7-10)14(20)18-9-5-8-12(18)13(16)19/h2,10-12H,1,3-9H2,(H2,16,19)(H,17,21)/t11-,12-/m0/s1
InChIKeyZCUSBFIRMQEDDE-RYUDHWBXSA-N
MW309.37 g/mol
LogP0.69
Rot. Bonds5

About cyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate

cyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate (PubChem CID 143605855) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is cyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate
PubChem CID143605855
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Namecyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate
SMILESC=C[C@H](NC(=O)OC1CCCC1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C15H23N3O4/c1-2-11(17-15(21)22-10-6-3-4-7-10)14(20)18-9-5-8-12(18)13(16)19/h2,10-12H,1,3-9H2,(H2,16,19)(H,17,21)/t11-,12-/m0/s1
InChIKeyZCUSBFIRMQEDDE-RYUDHWBXSA-N
XLogP0.69
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl] N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 146985093
cyclopropyl N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate
CID 58262946
cyclopentyl N-[2-[2-[(1-amino-1-oxopent-4-en-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 123961886
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
methyl N-[(1R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 71164933
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
cyclopentyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 10504803
tert-butyl N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 7031930
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
(2S)-1-[(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide
CID 175780642
(2S)-1-[(E)-4-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carboxamide
CID 70321115

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate?
The IUPAC name of cyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate (CID 143605855) is cyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate.
What is the SMILES notation for cyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate?
The canonical SMILES for cyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate is C=C[C@H](NC(=O)OC1CCCC1)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of cyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate?
The InChIKey is ZCUSBFIRMQEDDE-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-2-11(17-15(21)22-10-6-3-4-7-10)14(20)18-9-5-8-12(18)13(16)19/h2,10-12H,1,3-9H2,(H2,16,19)(H,17,21)/t11-,12-/m0/s1.
What are the key properties of cyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate?
cyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate has a molecular weight of 309.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobut-3-en-2-yl]carbamate is sourced from PubChem (CID 143605855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).