tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate

C11H19NO3 — CID 11367866

IUPACtert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate
SMILESC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C=CO1
InChIInChI=1S/C11H19NO3/c1-8-7-9(5-6-14-8)12-10(13)15-11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyUABOHZVDUMWWDS-RKDXNWHRSA-N
MW213.28 g/mol
LogP2.20
Rot. Bonds1

About tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate

tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate (PubChem CID 11367866) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate
PubChem CID11367866
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate
SMILESC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C=CO1
InChIInChI=1S/C11H19NO3/c1-8-7-9(5-6-14-8)12-10(13)15-11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyUABOHZVDUMWWDS-RKDXNWHRSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl (2S)-hex-5-EN-2-ylcarbamate
CID 45091912
tert-butyl N-[(2R,3S)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 45103018
tert-butyl N-hex-1-en-3-ylcarbamate
CID 13294367
Tert-butyl ((3,4-dihydro-2H-pyran-2-yl)methyl)carbamate
CID 15728132
propyl N-hex-1-en-3-ylcarbamate
CID 124011239
tert-butyl N-[(3R)-5-methoxypent-1-en-3-yl]carbamate
CID 137495271
butan-2-yl N-hex-1-en-3-ylcarbamate
CID 139619219
propan-2-yl N-hex-1-en-3-ylcarbamate
CID 139619222
tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate
CID 139752016
tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate
CID 141106101
tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate
CID 175063132
tert-Butyl hex-5-en-2-ylcarbamate
CID 10375509

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate (CID 11367866) is tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate is C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C=CO1.
What is the InChIKey of tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate?
The InChIKey is UABOHZVDUMWWDS-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-7-9(5-6-14-8)12-10(13)15-11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate?
tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate is sourced from PubChem (CID 11367866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).