benzyl N-[(4S)-5-oxononan-4-yl]carbamate

C17H25NO3 — CID 10732336

IUPACbenzyl N-[(4S)-5-oxononan-4-yl]carbamate
SMILESCCCCC(=O)[C@H](CCC)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO3/c1-3-5-12-16(19)15(9-4-2)18-17(20)21-13-14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyLICASTOYRVVPNQ-HNNXBMFYSA-N
MW291.39 g/mol
LogP3.84
Rot. Bonds9

About benzyl N-[(4S)-5-oxononan-4-yl]carbamate

benzyl N-[(4S)-5-oxononan-4-yl]carbamate (PubChem CID 10732336) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is benzyl N-[(4S)-5-oxononan-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4S)-5-oxononan-4-yl]carbamate
PubChem CID10732336
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namebenzyl N-[(4S)-5-oxononan-4-yl]carbamate
SMILESCCCCC(=O)[C@H](CCC)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO3/c1-3-5-12-16(19)15(9-4-2)18-17(20)21-13-14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyLICASTOYRVVPNQ-HNNXBMFYSA-N
XLogP3.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(4S)-5-oxoundecan-4-yl]carbamate
CID 10781916
undecyl 2-(phenylmethoxycarbonylamino)pentanoate
CID 91723840
chloromethyl (2S)-2-(phenylmethoxycarbonylamino)hexanoate
CID 171393372
5-butoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 71289865
benzyl N-(1-aminobutyl)carbamate
CID 3840640
methyl (2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoate
CID 91746288
4-bromo-2-(phenylmethoxycarbonylamino)octanoic acid
CID 67840637
benzyl N-[(4S)-3-methyl-5-oxoundecan-4-yl]carbamate
CID 10688108
benzyl N-[1-(4-hydroxyphenyl)-3-oxo-6-(propylamino)hexan-2-yl]carbamate
CID 154253182
benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate
CID 89365445
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4S)-5-oxononan-4-yl]carbamate?
The IUPAC name of benzyl N-[(4S)-5-oxononan-4-yl]carbamate (CID 10732336) is benzyl N-[(4S)-5-oxononan-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(4S)-5-oxononan-4-yl]carbamate?
The canonical SMILES for benzyl N-[(4S)-5-oxononan-4-yl]carbamate is CCCCC(=O)[C@H](CCC)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(4S)-5-oxononan-4-yl]carbamate?
The InChIKey is LICASTOYRVVPNQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-5-12-16(19)15(9-4-2)18-17(20)21-13-14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of benzyl N-[(4S)-5-oxononan-4-yl]carbamate?
benzyl N-[(4S)-5-oxononan-4-yl]carbamate has a molecular weight of 291.39 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4S)-5-oxononan-4-yl]carbamate is sourced from PubChem (CID 10732336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).