benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate

C16H22N2O4 — CID 141094427

IUPACbenzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate
SMILESN[C@H]1CCC2(C[C@H]1NC(=O)OCc1ccccc1)OCCO2
InChIInChI=1S/C16H22N2O4/c17-13-6-7-16(21-8-9-22-16)10-14(13)18-15(19)20-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11,17H2,(H,18,19)/t13-,14+/m0/s1
InChIKeyIIUGITWJBJJKNL-UONOGXRCSA-N
MW306.36 g/mol
LogP1.54
Rot. Bonds3

About benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate

benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate (PubChem CID 141094427) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate
PubChem CID141094427
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namebenzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate
SMILESN[C@H]1CCC2(C[C@H]1NC(=O)OCc1ccccc1)OCCO2
InChIInChI=1S/C16H22N2O4/c17-13-6-7-16(21-8-9-22-16)10-14(13)18-15(19)20-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11,17H2,(H,18,19)/t13-,14+/m0/s1
InChIKeyIIUGITWJBJJKNL-UONOGXRCSA-N
XLogP1.54
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
CID 58208830
benzyl N-[(7S,8R)-8-(2,4,5-trifluorophenyl)-1,4-dioxaspiro[4.5]decan-7-yl]carbamate
CID 57424363
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(3S)-1-[(7R)-7-acetamido-1,4-dioxaspiro[4.5]decan-8-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 59315591
benzyl N-[(3S)-1-[(7S,8S)-7-acetamido-1,4-dioxaspiro[4.5]decan-8-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 90834973
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
methyl 6-(phenylmethoxycarbonylamino)-1-oxaspiro[3.4]octane-7-carboxylate
CID 21307022
benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
CID 121451593
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate?
The IUPAC name of benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate (CID 141094427) is benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate.
What is the SMILES notation for benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate?
The canonical SMILES for benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate is N[C@H]1CCC2(C[C@H]1NC(=O)OCc1ccccc1)OCCO2.
What is the InChIKey of benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate?
The InChIKey is IIUGITWJBJJKNL-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22N2O4/c17-13-6-7-16(21-8-9-22-16)10-14(13)18-15(19)20-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11,17H2,(H,18,19)/t13-,14+/m0/s1.
What are the key properties of benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate?
benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate has a molecular weight of 306.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate is sourced from PubChem (CID 141094427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).