[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid

C8H17NO4 — CID 87382476

IUPAC[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid
SMILESCC(C)(C)OCC(CO)NC(=O)O
InChIInChI=1S/C8H17NO4/c1-8(2,3)13-5-6(4-10)9-7(11)12/h6,9-10H,4-5H2,1-3H3,(H,11,12)
InChIKeyAKITVWJWQNSVKK-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.43
Rot. Bonds4

About [1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid

[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid (PubChem CID 87382476) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is [1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid
PubChem CID87382476
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid
SMILESCC(C)(C)OCC(CO)NC(=O)O
InChIInChI=1S/C8H17NO4/c1-8(2,3)13-5-6(4-10)9-7(11)12/h6,9-10H,4-5H2,1-3H3,(H,11,12)
InChIKeyAKITVWJWQNSVKK-UHFFFAOYSA-N
XLogP0.43
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid
CID 22607409
(2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 59906425
2-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 64802946
[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid
CID 87493222
N-[1-hydroxy-3-(2-methylbutan-2-yloxy)propan-2-yl]acetamide
CID 134215824
2-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 64803991
[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid
CID 87852620
N-(1-hydroxybutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603120
tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
CID 19691499
2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 167788378
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106188319
[(2R)-1-(carboxyamino)-3-hydroxypropan-2-yl]carbamic acid
CID 129243469

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid?
The IUPAC name of [1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid (CID 87382476) is [1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid.
What is the SMILES notation for [1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid?
The canonical SMILES for [1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid is CC(C)(C)OCC(CO)NC(=O)O.
What is the InChIKey of [1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid?
The InChIKey is AKITVWJWQNSVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-8(2,3)13-5-6(4-10)9-7(11)12/h6,9-10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of [1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid?
[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid has a molecular weight of 191.23 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid is sourced from PubChem (CID 87382476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).