benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate

C18H25N3O3 — CID 103393718

IUPACbenzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCC(=O)N2CCCC2)C1)OCc1ccccc1
InChIInChI=1S/C18H25N3O3/c22-17(21-8-4-5-9-21)12-19-15-10-16(11-15)20-18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-13H2,(H,20,23)
InChIKeyGIXDPUFMXABMFT-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.66
Rot. Bonds6

About benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate

benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate (PubChem CID 103393718) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate
PubChem CID103393718
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Namebenzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCC(=O)N2CCCC2)C1)OCc1ccccc1
InChIInChI=1S/C18H25N3O3/c22-17(21-8-4-5-9-21)12-19-15-10-16(11-15)20-18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-13H2,(H,20,23)
InChIKeyGIXDPUFMXABMFT-UHFFFAOYSA-N
XLogP1.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 102080822
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benzyl N-[1-(2-chloroacetyl)azepan-4-yl]carbamate
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benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
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benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619
benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate
CID 103393492
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate (CID 103393718) is benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate is O=C(NC1CC(NCC(=O)N2CCCC2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate?
The InChIKey is GIXDPUFMXABMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17(21-8-4-5-9-21)12-19-15-10-16(11-15)20-18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-13H2,(H,20,23).
What are the key properties of benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate?
benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate has a molecular weight of 331.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 103393718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).