tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate

C17H31NO5 — CID 170551087

IUPACtert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate
SMILESCOC1(C[C@H](C)NC(=O)OC(C)(C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C17H31NO5/c1-13(18-14(19)23-15(2,3)4)12-16(20-5)6-8-17(9-7-16)21-10-11-22-17/h13H,6-12H2,1-5H3,(H,18,19)/t13-/m0/s1
InChIKeyYVKAKCPRDPLWRJ-ZDUSSCGKSA-N
MW329.44 g/mol
LogP2.99
Rot. Bonds4

About tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate (PubChem CID 170551087) has the molecular formula C17H31NO5 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate
PubChem CID170551087
Molecular FormulaC17H31NO5
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC Nametert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate
SMILESCOC1(C[C@H](C)NC(=O)OC(C)(C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C17H31NO5/c1-13(18-14(19)23-15(2,3)4)12-16(20-5)6-8-17(9-7-16)21-10-11-22-17/h13H,6-12H2,1-5H3,(H,18,19)/t13-/m0/s1
InChIKeyYVKAKCPRDPLWRJ-ZDUSSCGKSA-N
XLogP2.99
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate
CID 71942740
tert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate
CID 146152334
2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 158473045
tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate
CID 58618391
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
tert-butyl N-[(2R)-3,4-dideuterio-4-sulfanylbutan-2-yl]carbamate
CID 58618386
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate
CID 116849757
tert-butyl N-[(2R)-1-(iodomethylsulfanyl)propan-2-yl]carbamate
CID 130294561

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate (CID 170551087) is tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate is COC1(C[C@H](C)NC(=O)OC(C)(C)C)CCC2(CC1)OCCO2.
What is the InChIKey of tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate?
The InChIKey is YVKAKCPRDPLWRJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H31NO5/c1-13(18-14(19)23-15(2,3)4)12-16(20-5)6-8-17(9-7-16)21-10-11-22-17/h13H,6-12H2,1-5H3,(H,18,19)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate has a molecular weight of 329.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate is sourced from PubChem (CID 170551087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).