benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate

C17H23NO3 — CID 59454089

IUPACbenzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate
SMILESCC(=O)CCC1(NC(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C17H23NO3/c1-14(19)9-12-17(10-5-6-11-17)18-16(20)21-13-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,18,20)
InChIKeySVXTWPPIEDNSJT-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.59
Rot. Bonds6

About benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate

benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate (PubChem CID 59454089) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate
PubChem CID59454089
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Namebenzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate
SMILESCC(=O)CCC1(NC(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C17H23NO3/c1-14(19)9-12-17(10-5-6-11-17)18-16(20)21-13-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,18,20)
InChIKeySVXTWPPIEDNSJT-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate
CID 67428133
benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate
CID 11580159
(E)-4-[1-(phenylmethoxycarbonylamino)cyclobutyl]but-2-enoic acid
CID 167736065
benzyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240649
2-ethyl-1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 103670874
benzyl N-[(3R)-3-methylazepan-3-yl]carbamate
CID 175203765
[1-(phenylmethoxycarbonylamino)cyclopropyl]methyl benzenesulfonate
CID 149019199
S-[4-(phenylmethoxycarbonylamino)-1-bicyclo[2.2.2]octanyl] ethanethioate
CID 59543972
benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate
CID 57287930
benzyl N-[1-(hydroxymethyl)cyclopropyl]carbamate;[1-(phenylmethoxycarbonylamino)cyclopropyl]methyl methanesulfonate
CID 159709052
benzyl N-[1-(hydroxymethyl)cyclopropyl]carbamate;ethyl 1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate
CID 158945243
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate?
The IUPAC name of benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate (CID 59454089) is benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate.
What is the SMILES notation for benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate?
The canonical SMILES for benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate is CC(=O)CCC1(NC(=O)OCc2ccccc2)CCCC1.
What is the InChIKey of benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate?
The InChIKey is SVXTWPPIEDNSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-14(19)9-12-17(10-5-6-11-17)18-16(20)21-13-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,18,20).
What are the key properties of benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate?
benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate has a molecular weight of 289.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate is sourced from PubChem (CID 59454089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).