tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate

C23H34N2O2 — CID 155266144

IUPACtert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CC1(CN2CCCC2)CC1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C23H34N2O2/c1-22(2,3)27-21(26)25(20-15-19(20)18-9-5-4-6-10-18)17-23(11-12-23)16-24-13-7-8-14-24/h4-6,9-10,19-20H,7-8,11-17H2,1-3H3/t19-,20+/m1/s1
InChIKeyLDPSWUATEPUPBN-UXHICEINSA-N
MW370.54 g/mol
LogP4.66
Rot. Bonds6

About tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate

tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate (PubChem CID 155266144) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate
PubChem CID155266144
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Nametert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CC1(CN2CCCC2)CC1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C23H34N2O2/c1-22(2,3)27-21(26)25(20-15-19(20)18-9-5-4-6-10-18)17-23(11-12-23)16-24-13-7-8-14-24/h4-6,9-10,19-20H,7-8,11-17H2,1-3H3/t19-,20+/m1/s1
InChIKeyLDPSWUATEPUPBN-UXHICEINSA-N
XLogP4.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate (CID 155266144) is tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)N(CC1(CN2CCCC2)CC1)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate?
The InChIKey is LDPSWUATEPUPBN-UXHICEINSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-22(2,3)27-21(26)25(20-15-19(20)18-9-5-4-6-10-18)17-23(11-12-23)16-24-13-7-8-14-24/h4-6,9-10,19-20H,7-8,11-17H2,1-3H3/t19-,20+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate?
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate has a molecular weight of 370.54 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 155266144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).