tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate

C20H30N2O3 — CID 15895249

IUPACtert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1([C@@H]2CN(Cc3ccccc3)C[C@H]2CO)CC1
InChIInChI=1S/C20H30N2O3/c1-19(2,3)25-18(24)21-20(9-10-20)17-13-22(12-16(17)14-23)11-15-7-5-4-6-8-15/h4-8,16-17,23H,9-14H2,1-3H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyPPRMCUKLWOTKMW-DLBZAZTESA-N
MW346.47 g/mol
LogP2.78
Rot. Bonds5

About tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate

tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate (PubChem CID 15895249) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate
PubChem CID15895249
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nametert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1([C@@H]2CN(Cc3ccccc3)C[C@H]2CO)CC1
InChIInChI=1S/C20H30N2O3/c1-19(2,3)25-18(24)21-20(9-10-20)17-13-22(12-16(17)14-23)11-15-7-5-4-6-8-15/h4-8,16-17,23H,9-14H2,1-3H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyPPRMCUKLWOTKMW-DLBZAZTESA-N
XLogP2.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]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,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(3aR,7aR)-2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]carbamate
CID 90406229
tert-butyl N-[[(3S,4R)-1-benzyl-4-fluoropyrrolidin-3-yl]methyl]carbamate
CID 69074919
tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate
CID 69076839
tert-butyl N-(3-benzyl-5-fluoro-3-azabicyclo[3.1.1]heptan-1-yl)carbamate
CID 139713311
tert-butyl N-[[(3aR,6aS)-2-benzyl-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]methyl]carbamate
CID 138455618
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
methyl 1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]pyrrolidine-3-carboxylate
CID 129317518
tert-butyl N-[(3S,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 70110064
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709
methyl (3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylate
CID 67801118
tert-butyl N-[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]carbamate
CID 124748766

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate (CID 15895249) is tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1([C@@H]2CN(Cc3ccccc3)C[C@H]2CO)CC1.
What is the InChIKey of tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate?
The InChIKey is PPRMCUKLWOTKMW-DLBZAZTESA-N. The full InChI is InChI=1S/C20H30N2O3/c1-19(2,3)25-18(24)21-20(9-10-20)17-13-22(12-16(17)14-23)11-15-7-5-4-6-8-15/h4-8,16-17,23H,9-14H2,1-3H3,(H,21,24)/t16-,17+/m0/s1.
What are the key properties of tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate?
tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate has a molecular weight of 346.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate is sourced from PubChem (CID 15895249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).