benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate

C15H22N2O3 — CID 103392982

IUPACbenzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
SMILESCC(CO)NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H22N2O3/c1-11(9-18)16-13-7-14(8-13)17-15(19)20-10-12-5-3-2-4-6-12/h2-6,11,13-14,16,18H,7-10H2,1H3,(H,17,19)
InChIKeyNNJNHYCUOCTHHI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.41
Rot. Bonds6

About benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate

benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate (PubChem CID 103392982) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
PubChem CID103392982
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namebenzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
SMILESCC(CO)NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H22N2O3/c1-11(9-18)16-13-7-14(8-13)17-15(19)20-10-12-5-3-2-4-6-12/h2-6,11,13-14,16,18H,7-10H2,1H3,(H,17,19)
InChIKeyNNJNHYCUOCTHHI-UHFFFAOYSA-N
XLogP1.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]cyclobutyl]carbamate
CID 103393770
benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate
CID 103393753
benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 103392923
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487
benzyl N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393591
benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392858
benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
CID 103393723
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate (CID 103392982) is benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate is CC(CO)NC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate?
The InChIKey is NNJNHYCUOCTHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(9-18)16-13-7-14(8-13)17-15(19)20-10-12-5-3-2-4-6-12/h2-6,11,13-14,16,18H,7-10H2,1H3,(H,17,19).
What are the key properties of benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate?
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103392982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).