tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate

C12H21N5O3 — CID 168655854

IUPACtert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C12H21N5O3/c1-12(2,3)20-11(19)14-4-5-17-8-9(6-10(17)18)7-15-16-13/h9H,4-8H2,1-3H3,(H,14,19)
InChIKeyLSDFGZLVDXWDTI-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.67
Rot. Bonds5

About tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate (PubChem CID 168655854) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate
PubChem CID168655854
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Nametert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C12H21N5O3/c1-12(2,3)20-11(19)14-4-5-17-8-9(6-10(17)18)7-15-16-13/h9H,4-8H2,1-3H3,(H,14,19)
InChIKeyLSDFGZLVDXWDTI-UHFFFAOYSA-N
XLogP1.67
TPSA107.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-((5-oxopyrrolidin-3-yl)methyl)carbamate
CID 68769671
Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate
CID 4571096
tert-butyl N-(3-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 45092190
tert-Butyl (5-oxopyrrolidin-3-yl)carbamate
CID 68766454
tert-butyl N-(3-methyl-5-oxopyrrolidin-3-yl)carbamate
CID 105467655
tert-butyl N-[2-methyl-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propyl]carbamate
CID 53566071
tert-butyl N-[2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropyl]carbamate
CID 53596612
tert-butyl N-[2-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propyl]carbamate
CID 53606882
tert-butyl N-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]carbamate
CID 15484819
[2-(2-Oxo-pyrrolidin-1-yl)ethyl]carbamic Acid tert-Butyl Ester
CID 24776725
[1-(2-Oxo-pyrrolidin-1-ylmethyl)propyl]carbamic Acid tert-Butyl Ester
CID 139253357
tert-butyl N-[1-(3-carbamoylpyrrolidin-1-yl)-4,4,4-trifluorobutan-2-yl]carbamate
CID 167908386

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate (CID 168655854) is tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CC(CN=[N+]=[N-])CC1=O.
What is the InChIKey of tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate?
The InChIKey is LSDFGZLVDXWDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-12(2,3)20-11(19)14-4-5-17-8-9(6-10(17)18)7-15-16-13/h9H,4-8H2,1-3H3,(H,14,19).
What are the key properties of tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate has a molecular weight of 283.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 168655854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).