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

C12H25NO4 — CID 20792131

IUPACtert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate
SMILESCC(C)(CO)CC(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-11(2,3)17-10(16)13-9(7-14)6-12(4,5)8-15/h9,14-15H,6-8H2,1-5H3,(H,13,16)
InChIKeyCXAMRLRVJOHMPL-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.28
Rot. Bonds5

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

tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate (PubChem CID 20792131) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate
PubChem CID20792131
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nametert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate
SMILESCC(C)(CO)CC(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-11(2,3)17-10(16)13-9(7-14)6-12(4,5)8-15/h9,14-15H,6-8H2,1-5H3,(H,13,16)
InChIKeyCXAMRLRVJOHMPL-UHFFFAOYSA-N
XLogP1.28
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate
CID 72529602
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;methanesulfonic acid
CID 86663657
tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate
CID 86710332
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)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
ethyl (4S)-2,2-difluoro-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 102462911
tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate
CID 23650782
tert-butyl N-[(E,2R)-1-hydroxyhex-4-en-2-yl]carbamate
CID 97300100

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate (CID 20792131) is tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate is CC(C)(CO)CC(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate?
The InChIKey is CXAMRLRVJOHMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-11(2,3)17-10(16)13-9(7-14)6-12(4,5)8-15/h9,14-15H,6-8H2,1-5H3,(H,13,16).
What are the key properties of tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate?
tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate has a molecular weight of 247.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate is sourced from PubChem (CID 20792131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).