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

C7H15NO5 — CID 152749159

IUPAC[1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid
SMILESCOCOCC(C)(CO)NC(=O)O
InChIInChI=1S/C7H15NO5/c1-7(3-9,8-6(10)11)4-13-5-12-2/h8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeySKPKTJGDLTUMKR-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.37
Rot. Bonds6

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

[1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid (PubChem CID 152749159) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is [1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid
PubChem CID152749159
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name[1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid
SMILESCOCOCC(C)(CO)NC(=O)O
InChIInChI=1S/C7H15NO5/c1-7(3-9,8-6(10)11)4-13-5-12-2/h8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeySKPKTJGDLTUMKR-UHFFFAOYSA-N
XLogP-0.37
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid (CID 152749159) is [1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid is COCOCC(C)(CO)NC(=O)O.
What is the InChIKey of [1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid?
The InChIKey is SKPKTJGDLTUMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5/c1-7(3-9,8-6(10)11)4-13-5-12-2/h8-9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of [1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid?
[1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid has a molecular weight of 193.20 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 152749159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).