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

C16H24N2O3 — CID 103392923

IUPACbenzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate
SMILESCCC(CO)NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H24N2O3/c1-2-13(10-19)17-14-8-15(9-14)18-16(20)21-11-12-6-4-3-5-7-12/h3-7,13-15,17,19H,2,8-11H2,1H3,(H,18,20)
InChIKeyWYJBQATYUBZQKH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.80
Rot. Bonds7

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

benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate (PubChem CID 103392923) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate
PubChem CID103392923
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namebenzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate
SMILESCCC(CO)NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H24N2O3/c1-2-13(10-19)17-14-8-15(9-14)18-16(20)21-11-12-6-4-3-5-7-12/h3-7,13-15,17,19H,2,8-11H2,1H3,(H,18,20)
InChIKeyWYJBQATYUBZQKH-UHFFFAOYSA-N
XLogP1.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
benzyl N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]cyclobutyl]carbamate
CID 103393770
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-(pent-4-en-2-ylamino)cyclobutyl]carbamate
CID 103393753
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-hydroxybutan-2-ylamino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate (CID 103392923) is benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate is CCC(CO)NC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate?
The InChIKey is WYJBQATYUBZQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-13(10-19)17-14-8-15(9-14)18-16(20)21-11-12-6-4-3-5-7-12/h3-7,13-15,17,19H,2,8-11H2,1H3,(H,18,20).
What are the key properties of benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate?
benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103392923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).