tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate

C10H19N2O2- — CID 59130918

IUPACtert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate
SMILES[CH2-]N1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19N2O2/c1-10(2,3)14-9(13)11-8-5-6-12(4)7-8/h8H,4-7H2,1-3H3,(H,11,13)/q-1
InChIKeyKJWGZZVGCVXMMB-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.38
Rot. Bonds1

About tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate

tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate (PubChem CID 59130918) has the molecular formula C10H19N2O2- and a molecular weight of 199.27 g/mol. Its IUPAC name is tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate
PubChem CID59130918
Molecular FormulaC10H19N2O2-
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Nametert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate
SMILES[CH2-]N1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19N2O2/c1-10(2,3)14-9(13)11-8-5-6-12(4)7-8/h8H,4-7H2,1-3H3,(H,11,13)/q-1
InChIKeyKJWGZZVGCVXMMB-UHFFFAOYSA-N
XLogP1.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
tert-butyl N-(1-hydroxyazepan-3-yl)carbamate
CID 70285505
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
tert-butyl N-[(3R)-1-(3-chloropropanoyl)pyrrolidin-3-yl]carbamate
CID 170409265
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56604508
tert-butyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66565985
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate (CID 59130918) is tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate is [CH2-]N1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate?
The InChIKey is KJWGZZVGCVXMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O2/c1-10(2,3)14-9(13)11-8-5-6-12(4)7-8/h8H,4-7H2,1-3H3,(H,11,13)/q-1.
What are the key properties of tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate?
tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate has a molecular weight of 199.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 59130918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).