tert-butyl(2-hydroxyethyl)carbamic acid

C7H15NO3 — CID 57051179

IUPACtert-butyl(2-hydroxyethyl)carbamic acid
SMILESCC(C)(C)N(CCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-7(2,3)8(4-5-9)6(10)11/h9H,4-5H2,1-3H3,(H,10,11)
InChIKeyTWXGZMSQYZMCKG-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.76
Rot. Bonds2

About tert-butyl(2-hydroxyethyl)carbamic acid

tert-butyl(2-hydroxyethyl)carbamic acid (PubChem CID 57051179) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is tert-butyl(2-hydroxyethyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(2-hydroxyethyl)carbamic acid
PubChem CID57051179
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nametert-butyl(2-hydroxyethyl)carbamic acid
SMILESCC(C)(C)N(CCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-7(2,3)8(4-5-9)6(10)11/h9H,4-5H2,1-3H3,(H,10,11)
InChIKeyTWXGZMSQYZMCKG-UHFFFAOYSA-N
XLogP0.76
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 tert-butyl(2-hydroxyethyl)carbamic acid?
The IUPAC name of tert-butyl(2-hydroxyethyl)carbamic acid (CID 57051179) is tert-butyl(2-hydroxyethyl)carbamic acid.
What is the SMILES notation for tert-butyl(2-hydroxyethyl)carbamic acid?
The canonical SMILES for tert-butyl(2-hydroxyethyl)carbamic acid is CC(C)(C)N(CCO)C(=O)O.
What is the InChIKey of tert-butyl(2-hydroxyethyl)carbamic acid?
The InChIKey is TWXGZMSQYZMCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2,3)8(4-5-9)6(10)11/h9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of tert-butyl(2-hydroxyethyl)carbamic acid?
tert-butyl(2-hydroxyethyl)carbamic acid has a molecular weight of 161.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-hydroxyethyl)carbamic acid is sourced from PubChem (CID 57051179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).