tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate

C13H27NO4 — CID 72529602

IUPACtert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate
SMILESCOCC(C)(C)CC(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO4/c1-12(2,3)18-11(16)14-10(8-15)7-13(4,5)9-17-6/h10,15H,7-9H2,1-6H3,(H,14,16)
InChIKeyWBPVXEYEFGLDMX-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.93
Rot. Bonds6

About tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate

tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate (PubChem CID 72529602) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate
PubChem CID72529602
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Nametert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate
SMILESCOCC(C)(C)CC(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO4/c1-12(2,3)18-11(16)14-10(8-15)7-13(4,5)9-17-6/h10,15H,7-9H2,1-6H3,(H,14,16)
InChIKeyWBPVXEYEFGLDMX-UHFFFAOYSA-N
XLogP1.93
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate
CID 20792131
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
CID 19691499
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;methanesulfonic acid
CID 86663657
tert-butyl N-[(E,2R)-1-hydroxyhex-4-en-2-yl]carbamate
CID 97300100
tert-butyl N-[(2R)-4-amino-1-hydroxy-4-oxobutan-2-yl]carbamate
CID 51387393
tert-butyl N-(4-amino-1-hydroxy-4-oxobutan-2-yl)carbamate
CID 53396005
sodium;boranuide;tert-butyl (3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 173145039
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate
CID 86710332
ethyl (4S)-2,2-difluoro-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 102462911
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate (CID 72529602) is tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate is COCC(C)(C)CC(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate?
The InChIKey is WBPVXEYEFGLDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-12(2,3)18-11(16)14-10(8-15)7-13(4,5)9-17-6/h10,15H,7-9H2,1-6H3,(H,14,16).
What are the key properties of tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate?
tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate has a molecular weight of 261.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate is sourced from PubChem (CID 72529602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).