(1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate

C10H21NO4 — CID 140875404

IUPAC(1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(CO)C(C)(C)O
InChIInChI=1S/C10H21NO4/c1-9(2,3)11-8(13)15-7(6-12)10(4,5)14/h7,12,14H,6H2,1-5H3,(H,11,13)
InChIKeyQKXMEMKARIYPDJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.64
Rot. Bonds3

About (1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate

(1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate (PubChem CID 140875404) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is (1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate
PubChem CID140875404
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name(1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(CO)C(C)(C)O
InChIInChI=1S/C10H21NO4/c1-9(2,3)11-8(13)15-7(6-12)10(4,5)14/h7,12,14H,6H2,1-5H3,(H,11,13)
InChIKeyQKXMEMKARIYPDJ-UHFFFAOYSA-N
XLogP0.64
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-t-Butoxycarbonylamino-2-ethylpropane-1,3-diol
CID 22279696
(S)-(-)-tert-butyl 1-hydroxypropan-2-yl carbamate
CID 118237081
[2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate
CID 142733173
(4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate
CID 175189297
[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 54532018
[1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate
CID 66733334
[(2S)-1-hydroxy-4-methoxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 87303099
(1-hydroxy-4-methoxy-4-methylpentan-2-yl) N-tert-butylcarbamate
CID 87303100
1-hydroxyhexan-2-yl N-tert-butylcarbamate
CID 87467819
2-hydroxyhexyl N-tert-butylcarbamate
CID 87467821
tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate
CID 88902282
(4-hydroxy-2,4-dimethylpentan-2-yl) N-[4-(1,3-dihydroxypropan-2-yloxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 89970012

Frequently Asked Questions

What is the IUPAC name of (1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate?
The IUPAC name of (1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate (CID 140875404) is (1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OC(CO)C(C)(C)O.
What is the InChIKey of (1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate?
The InChIKey is QKXMEMKARIYPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-9(2,3)11-8(13)15-7(6-12)10(4,5)14/h7,12,14H,6H2,1-5H3,(H,11,13).
What are the key properties of (1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate?
(1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate has a molecular weight of 219.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate is sourced from PubChem (CID 140875404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).