ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid

C7H15NO3 — CID 57352869

IUPACethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid
SMILESCCN(C(=O)O)C(C)(C)CO
InChIInChI=1S/C7H15NO3/c1-4-8(6(10)11)7(2,3)5-9/h9H,4-5H2,1-3H3,(H,10,11)
InChIKeyOYWXNHJCLIADOO-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.76
Rot. Bonds3

About ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid

ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid (PubChem CID 57352869) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid.

Molecular Properties

Compound Nameethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid
PubChem CID57352869
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid
SMILESCCN(C(=O)O)C(C)(C)CO
InChIInChI=1S/C7H15NO3/c1-4-8(6(10)11)7(2,3)5-9/h9H,4-5H2,1-3H3,(H,10,11)
InChIKeyOYWXNHJCLIADOO-UHFFFAOYSA-N
XLogP0.76
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid?
The IUPAC name of ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid (CID 57352869) is ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid.
What is the SMILES notation for ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid?
The canonical SMILES for ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid is CCN(C(=O)O)C(C)(C)CO.
What is the InChIKey of ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid?
The InChIKey is OYWXNHJCLIADOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-8(6(10)11)7(2,3)5-9/h9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid?
ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid has a molecular weight of 161.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid is sourced from PubChem (CID 57352869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).