tert-butyl N-amino-N-pyrrolidin-2-ylcarbamate

C9H19N3O2 — CID 174368452

IUPACtert-butyl N-amino-N-pyrrolidin-2-ylcarbamate
SMILESCC(C)(C)OC(=O)N(N)C1CCCN1
InChIInChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)12(10)7-5-4-6-11-7/h7,11H,4-6,10H2,1-3H3
InChIKeyYAGJGKUHXDAUIL-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.81
Rot. Bonds1

About tert-butyl N-amino-N-pyrrolidin-2-ylcarbamate

tert-butyl N-amino-N-pyrrolidin-2-ylcarbamate (PubChem CID 174368452) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-amino-N-pyrrolidin-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-pyrrolidin-2-ylcarbamate
PubChem CID174368452
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Nametert-butyl N-amino-N-pyrrolidin-2-ylcarbamate
SMILESCC(C)(C)OC(=O)N(N)C1CCCN1
InChIInChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)12(10)7-5-4-6-11-7/h7,11H,4-6,10H2,1-3H3
InChIKeyYAGJGKUHXDAUIL-UHFFFAOYSA-N
XLogP0.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-amino-N-[(2S)-pyrrolidine-2-carbonyl]carbamate
CID 71283665
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
CID 96555647
tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
CID 69016089
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate
CID 154998041
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
tert-butyl carbamate;methanol;pyrrolidine-2-carbaldehyde
CID 171093384
butyl N-methyl-N-pyrrolidin-2-ylcarbamate
CID 66820260
tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate
CID 86330307
tert-butyl 2-formyl-3-pyrrolidin-2-ylpropanoate
CID 23223865
tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate
CID 68876436

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-pyrrolidin-2-ylcarbamate?
The IUPAC name of tert-butyl N-amino-N-pyrrolidin-2-ylcarbamate (CID 174368452) is tert-butyl N-amino-N-pyrrolidin-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-amino-N-pyrrolidin-2-ylcarbamate?
The canonical SMILES for tert-butyl N-amino-N-pyrrolidin-2-ylcarbamate is CC(C)(C)OC(=O)N(N)C1CCCN1.
What is the InChIKey of tert-butyl N-amino-N-pyrrolidin-2-ylcarbamate?
The InChIKey is YAGJGKUHXDAUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)12(10)7-5-4-6-11-7/h7,11H,4-6,10H2,1-3H3.
What are the key properties of tert-butyl N-amino-N-pyrrolidin-2-ylcarbamate?
tert-butyl N-amino-N-pyrrolidin-2-ylcarbamate has a molecular weight of 201.27 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-pyrrolidin-2-ylcarbamate is sourced from PubChem (CID 174368452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).