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

C10H21NO3 — CID 46941495

IUPACtert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
SMILESCC[C@@H](COC)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-6-8(7-13-5)11-9(12)14-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)/t8-/m0/s1
InChIKeyDZQBOXFQDSCNRZ-QMMMGPOBSA-N
MW203.28 g/mol
LogP1.94
Rot. Bonds4

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

tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate (PubChem CID 46941495) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
PubChem CID46941495
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
SMILESCC[C@@H](COC)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-6-8(7-13-5)11-9(12)14-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)/t8-/m0/s1
InChIKeyDZQBOXFQDSCNRZ-QMMMGPOBSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
(4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 170910958
tert-butyl N-[(2S)-1-sulfanylbutan-2-yl]carbamate
CID 90130964
tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate
CID 152912465
tert-butyl N-[1-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]butan-2-yl]carbamate
CID 21032461
tert-butyl N-(5-oxoheptan-3-yl)carbamate
CID 163397442
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
tert-butyl N-[(E)-4-(1-methoxybutan-2-ylamino)but-2-enyl]carbamate
CID 107252977
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate (CID 46941495) is tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate is CC[C@@H](COC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate?
The InChIKey is DZQBOXFQDSCNRZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO3/c1-6-8(7-13-5)11-9(12)14-10(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-methoxybutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate has a molecular weight of 203.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate is sourced from PubChem (CID 46941495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).