tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate

C10H21NO4 — CID 177407603

IUPACtert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate
SMILESCOCOC[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO4/c1-8(6-14-7-13-5)11-9(12)15-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)/t8-/m0/s1
InChIKeyZSVQDQLHULJTBM-QMMMGPOBSA-N
MW219.28 g/mol
LogP1.52
Rot. Bonds5

About tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate (PubChem CID 177407603) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate
PubChem CID177407603
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate
SMILESCOCOC[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO4/c1-8(6-14-7-13-5)11-9(12)15-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)/t8-/m0/s1
InChIKeyZSVQDQLHULJTBM-QMMMGPOBSA-N
XLogP1.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S)-1-(sulfanylmethoxy)propan-2-yl]carbamate
CID 160711202
tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
CID 19691499
tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-[(2S)-1-ethoxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;sulfane
CID 161043210
tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate
CID 175605788
[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
CID 10753379
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate
CID 143288950
tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate
CID 66706655
tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate (CID 177407603) is tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate is COCOC[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate?
The InChIKey is ZSVQDQLHULJTBM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(6-14-7-13-5)11-9(12)15-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate has a molecular weight of 219.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate is sourced from PubChem (CID 177407603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).