(1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid

C6H13NO4 — CID 122604231

IUPAC(1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid
SMILESCOCC(C)(CO)NC(=O)O
InChIInChI=1S/C6H13NO4/c1-6(3-8,4-11-2)7-5(9)10/h7-8H,3-4H2,1-2H3,(H,9,10)
InChIKeyKBYIFWNJHZFKSG-UHFFFAOYSA-N
MW163.17 g/mol
LogP-0.35
Rot. Bonds4

About (1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid

(1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid (PubChem CID 122604231) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid
PubChem CID122604231
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid
SMILESCOCC(C)(CO)NC(=O)O
InChIInChI=1S/C6H13NO4/c1-6(3-8,4-11-2)7-5(9)10/h7-8H,3-4H2,1-2H3,(H,9,10)
InChIKeyKBYIFWNJHZFKSG-UHFFFAOYSA-N
XLogP-0.35
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid?
The IUPAC name of (1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid (CID 122604231) is (1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid.
What is the SMILES notation for (1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid?
The canonical SMILES for (1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid is COCC(C)(CO)NC(=O)O.
What is the InChIKey of (1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid?
The InChIKey is KBYIFWNJHZFKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-6(3-8,4-11-2)7-5(9)10/h7-8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of (1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid?
(1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid has a molecular weight of 163.17 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid is sourced from PubChem (CID 122604231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).