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

C17H24N2O4 — CID 58208830

IUPACbenzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
SMILESCN[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2
InChIInChI=1S/C17H24N2O4/c1-18-15-11-17(22-9-10-23-17)8-7-14(15)19-16(20)21-12-13-5-3-2-4-6-13/h2-6,14-15,18H,7-12H2,1H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyIDFNIXJZAGMOIN-LSDHHAIUSA-N
MW320.39 g/mol
LogP1.80
Rot. Bonds4

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

benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate (PubChem CID 58208830) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
PubChem CID58208830
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namebenzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
SMILESCN[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2
InChIInChI=1S/C17H24N2O4/c1-18-15-11-17(22-9-10-23-17)8-7-14(15)19-16(20)21-12-13-5-3-2-4-6-13/h2-6,14-15,18H,7-12H2,1H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyIDFNIXJZAGMOIN-LSDHHAIUSA-N
XLogP1.80
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate
CID 141094427
benzyl N-[(7S,8R)-8-(2,4,5-trifluorophenyl)-1,4-dioxaspiro[4.5]decan-7-yl]carbamate
CID 57424363
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-[(3S)-1-[(7R)-7-acetamido-1,4-dioxaspiro[4.5]decan-8-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 59315591
[5,5-dimethoxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid
CID 69014681
methyl 6-(phenylmethoxycarbonylamino)-1-oxaspiro[3.4]octane-7-carboxylate
CID 21307022
methyl (2S)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(phenylmethoxycarbonylamino)acetate
CID 58911777
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 96552250
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,2S)-5,5-difluoro-2-hydroxycyclohexyl]carbamate
CID 169260932

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate?
The IUPAC name of benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate (CID 58208830) is benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate.
What is the SMILES notation for benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate?
The canonical SMILES for benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate is CN[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2.
What is the InChIKey of benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate?
The InChIKey is IDFNIXJZAGMOIN-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-18-15-11-17(22-9-10-23-17)8-7-14(15)19-16(20)21-12-13-5-3-2-4-6-13/h2-6,14-15,18H,7-12H2,1H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate?
benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate is sourced from PubChem (CID 58208830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).