benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate

C15H20N2O3 — CID 56965558

IUPACbenzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
SMILESO=C(N[C@H]1CCN(C2COC2)C1)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-15(20-9-12-4-2-1-3-5-12)16-13-6-7-17(8-13)14-10-19-11-14/h1-5,13-14H,6-11H2,(H,16,18)/t13-/m0/s1
InChIKeyJLDGHCCLXOHBQA-ZDUSSCGKSA-N
MW276.34 g/mol
LogP1.39
Rot. Bonds4

About benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate

benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate (PubChem CID 56965558) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
PubChem CID56965558
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namebenzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
SMILESO=C(N[C@H]1CCN(C2COC2)C1)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-15(20-9-12-4-2-1-3-5-12)16-13-6-7-17(8-13)14-10-19-11-14/h1-5,13-14H,6-11H2,(H,16,18)/t13-/m0/s1
InChIKeyJLDGHCCLXOHBQA-ZDUSSCGKSA-N
XLogP1.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 166203065
benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate
CID 66566535
benzyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566464
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
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2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 114928005
benzyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]piperidine-1-carboxylate
CID 174995005
benzyl 4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]piperidine-1-carboxylate
CID 142425798
1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112545077
benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
CID 112545058
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate (CID 56965558) is benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate is O=C(N[C@H]1CCN(C2COC2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is JLDGHCCLXOHBQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(20-9-12-4-2-1-3-5-12)16-13-6-7-17(8-13)14-10-19-11-14/h1-5,13-14H,6-11H2,(H,16,18)/t13-/m0/s1.
What are the key properties of benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate?
benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 56965558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).