tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate

C12H22N2O3 — CID 143810595

IUPACtert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate
SMILESCNCC1=CC[C@@H](NC(=O)OC(C)(C)C)CO1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-9-5-6-10(7-13-4)16-8-9/h6,9,13H,5,7-8H2,1-4H3,(H,14,15)/t9-/m1/s1
InChIKeyRVHIWZLSBJCJFU-SECBINFHSA-N
MW242.32 g/mol
LogP1.40
Rot. Bonds3

About tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate

tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate (PubChem CID 143810595) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate
PubChem CID143810595
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate
SMILESCNCC1=CC[C@@H](NC(=O)OC(C)(C)C)CO1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-9-5-6-10(7-13-4)16-8-9/h6,9,13H,5,7-8H2,1-4H3,(H,14,15)/t9-/m1/s1
InChIKeyRVHIWZLSBJCJFU-SECBINFHSA-N
XLogP1.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R,3S)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 45103018
tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate
CID 178201497
tert-butyl N-(2,3-dihydrofuran-5-ylmethyl)carbamate
CID 89206675
tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91203347
tert-butyl N-[3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-yl]methylamino]propyl]carbamate
CID 91343912
tert-butyl [(3S,6Z)-6-(cyanomethylene)tetrahydro-2H-pyran-3-yl]carbamate
CID 118494579
tert-butyl N-[(3S)-6-(cyanomethylidene)oxan-3-yl]carbamate
CID 123283860
tert-butyl N-[2-methyl-2-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-en-3-yl]oxypropyl]carbamate
CID 124120317
tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate
CID 126745508
tert-butyl N-[3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutyl]carbamate
CID 126745580
tert-butyl 3-[[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-yl]methylamino]methyl]azetidine-1-carboxylate
CID 126745790
tert-butyl N-[(2S)-1-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-2-yl]carbamate
CID 126745803

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate (CID 143810595) is tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate is CNCC1=CC[C@@H](NC(=O)OC(C)(C)C)CO1.
What is the InChIKey of tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate?
The InChIKey is RVHIWZLSBJCJFU-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-9-5-6-10(7-13-4)16-8-9/h6,9,13H,5,7-8H2,1-4H3,(H,14,15)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate?
tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate is sourced from PubChem (CID 143810595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).