tert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate

C24H36N2O2 — CID 155633031

IUPACtert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate
SMILESC[C@@H]1CCCN1CC1(CN(C(=O)OC(C)(C)C)C2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C24H36N2O2/c1-18-9-8-14-25(18)16-24(12-13-24)17-26(22(27)28-23(2,3)4)21-15-20(21)19-10-6-5-7-11-19/h5-7,10-11,18,20-21H,8-9,12-17H2,1-4H3/t18-,20-,21?/m1/s1
InChIKeyLMIUOMJBVARTCS-SAMMEDMISA-N
MW384.56 g/mol
LogP5.04
Rot. Bonds6

About tert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate

tert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate (PubChem CID 155633031) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is tert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate
PubChem CID155633031
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Nametert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate
SMILESC[C@@H]1CCCN1CC1(CN(C(=O)OC(C)(C)C)C2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C24H36N2O2/c1-18-9-8-14-25(18)16-24(12-13-24)17-26(22(27)28-23(2,3)4)21-15-20(21)19-10-6-5-7-11-19/h5-7,10-11,18,20-21H,8-9,12-17H2,1-4H3/t18-,20-,21?/m1/s1
InChIKeyLMIUOMJBVARTCS-SAMMEDMISA-N
XLogP5.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate (CID 155633031) is tert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate is C[C@@H]1CCCN1CC1(CN(C(=O)OC(C)(C)C)C2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate?
The InChIKey is LMIUOMJBVARTCS-SAMMEDMISA-N. The full InChI is InChI=1S/C24H36N2O2/c1-18-9-8-14-25(18)16-24(12-13-24)17-26(22(27)28-23(2,3)4)21-15-20(21)19-10-6-5-7-11-19/h5-7,10-11,18,20-21H,8-9,12-17H2,1-4H3/t18-,20-,21?/m1/s1.
What are the key properties of tert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate?
tert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate has a molecular weight of 384.56 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-N-[(2R)-2-phenylcyclopropyl]carbamate is sourced from PubChem (CID 155633031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).