[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate

C11H20N2O4 — CID 67758323

IUPAC[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate
SMILESC[C@H]1CN(OC=O)C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O4/c1-8-5-13(16-7-14)6-9(8)12-10(15)17-11(2,3)4/h7-9H,5-6H2,1-4H3,(H,12,15)/t8-,9+/m0/s1
InChIKeyHAJOOZVYYOGEPG-DTWKUNHWSA-N
MW244.29 g/mol
LogP0.92
Rot. Bonds3

About [(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate

[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate (PubChem CID 67758323) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is [(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate.

Molecular Properties

Compound Name[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate
PubChem CID67758323
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate
SMILESC[C@H]1CN(OC=O)C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O4/c1-8-5-13(16-7-14)6-9(8)12-10(15)17-11(2,3)4/h7-9H,5-6H2,1-4H3,(H,12,15)/t8-,9+/m0/s1
InChIKeyHAJOOZVYYOGEPG-DTWKUNHWSA-N
XLogP0.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate 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-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710
tert-butyl N-[(1S,2R)-2-formylcycloheptyl]carbamate
CID 87517913
tert-butyl (3S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 130735515
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
tert-butyl N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclopropyl]carbamate
CID 107237764
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid
CID 175446818
tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate
CID 122463347
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate?
The IUPAC name of [(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate (CID 67758323) is [(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate.
What is the SMILES notation for [(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate?
The canonical SMILES for [(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate is C[C@H]1CN(OC=O)C[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of [(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate?
The InChIKey is HAJOOZVYYOGEPG-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8-5-13(16-7-14)6-9(8)12-10(15)17-11(2,3)4/h7-9H,5-6H2,1-4H3,(H,12,15)/t8-,9+/m0/s1.
What are the key properties of [(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate?
[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate has a molecular weight of 244.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate is sourced from PubChem (CID 67758323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).