tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate

C18H28N2O2 — CID 97170435

IUPACtert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)19-11-9-16-10-12-20(14-16)13-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,19,21)/t16-/m1/s1
InChIKeyXZRJUWDOUWQDRA-MRXNPFEDSA-N
MW304.43 g/mol
LogP3.42
Rot. Bonds5

About tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate

tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate (PubChem CID 97170435) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
PubChem CID97170435
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)19-11-9-16-10-12-20(14-16)13-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,19,21)/t16-/m1/s1
InChIKeyXZRJUWDOUWQDRA-MRXNPFEDSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
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N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide
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tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
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tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
tert-butyl N-[[(3R,4S)-1-benzyl-3,4-dihydroxypiperidin-4-yl]methyl]carbamate
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tert-butyl N-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]carbamate
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tert-butyl N-[(3R,4R)-1-benzyl-4-(2-fluoroethyl)piperidin-3-yl]carbamate
CID 20599298
tert-butyl N-[(3S,4S)-1-benzyl-4-(2-hydroxyethyl)piperidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate (CID 97170435) is tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate?
The InChIKey is XZRJUWDOUWQDRA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)19-11-9-16-10-12-20(14-16)13-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,19,21)/t16-/m1/s1.
What are the key properties of tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate?
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 97170435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).