tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate

C10H21NO4 — CID 53259998

IUPACtert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
SMILESCOC[C@H](CCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(13)11-8(5-6-12)7-14-4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyVFICVOGJYRPEIU-QMMMGPOBSA-N
MW219.28 g/mol
LogP0.91
Rot. Bonds5

About tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate

tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate (PubChem CID 53259998) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
PubChem CID53259998
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
SMILESCOC[C@H](CCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(13)11-8(5-6-12)7-14-4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyVFICVOGJYRPEIU-QMMMGPOBSA-N
XLogP0.91
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate
CID 93002503
tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate
CID 152912465
tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate
CID 161209613
(4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 170910958
tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate
CID 164575135
2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
CID 106161090
tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
CID 19691499
2-(tert-butylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103850862
tert-butyl N-[(2R,3R)-3-amino-1-methoxybutan-2-yl]carbamate
CID 131733528
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106155459

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate (CID 53259998) is tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate is COC[C@H](CCO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate?
The InChIKey is VFICVOGJYRPEIU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2,3)15-9(13)11-8(5-6-12)7-14-4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate?
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate has a molecular weight of 219.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate is sourced from PubChem (CID 53259998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).