benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate

C20H28N2O5 — CID 67093108

IUPACbenzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate
SMILESO=C(N[C@H](CO)CCC(=O)N1CCC2(CC2)[C@H](O)C1)OCc1ccccc1
InChIInChI=1S/C20H28N2O5/c23-13-16(21-19(26)27-14-15-4-2-1-3-5-15)6-7-18(25)22-11-10-20(8-9-20)17(24)12-22/h1-5,16-17,23-24H,6-14H2,(H,21,26)/t16-,17+/m0/s1
InChIKeyBOUSROQUHCXJOQ-DLBZAZTESA-N
MW376.45 g/mol
LogP1.43
Rot. Bonds7

About benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate

benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate (PubChem CID 67093108) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate
PubChem CID67093108
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Namebenzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate
SMILESO=C(N[C@H](CO)CCC(=O)N1CCC2(CC2)[C@H](O)C1)OCc1ccccc1
InChIInChI=1S/C20H28N2O5/c23-13-16(21-19(26)27-14-15-4-2-1-3-5-15)6-7-18(25)22-11-10-20(8-9-20)17(24)12-22/h1-5,16-17,23-24H,6-14H2,(H,21,26)/t16-,17+/m0/s1
InChIKeyBOUSROQUHCXJOQ-DLBZAZTESA-N
XLogP1.43
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2S)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 66600444
benzyl (2S)-4-[(2S)-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxy-5-oxopentan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate
CID 67074363
tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate
CID 23434416
benzyl N,N-bis[(2S)-1-hydroxy-4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)butan-2-yl]carbamate
CID 67082004
methyl 7-hydroxy-6-(phenylmethoxycarbonylamino)heptanoate
CID 170020317
benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
CID 10380925
benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate
CID 67074379
[(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid
CID 151722138
tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid
CID 69440258
benzyl N-[1-(1,3-dioxan-2-yl)-3-hydroxypropan-2-yl]carbamate
CID 21242026
benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate
CID 170167802
benzyl (3S,6S)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6,8a-dimethyl-5-oxo-2,3,6,8-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-7-carboxylate
CID 67093014

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate (CID 67093108) is benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate is O=C(N[C@H](CO)CCC(=O)N1CCC2(CC2)[C@H](O)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate?
The InChIKey is BOUSROQUHCXJOQ-DLBZAZTESA-N. The full InChI is InChI=1S/C20H28N2O5/c23-13-16(21-19(26)27-14-15-4-2-1-3-5-15)6-7-18(25)22-11-10-20(8-9-20)17(24)12-22/h1-5,16-17,23-24H,6-14H2,(H,21,26)/t16-,17+/m0/s1.
What are the key properties of benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate?
benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate has a molecular weight of 376.45 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate is sourced from PubChem (CID 67093108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).