tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid

C10H21NO3 — CID 89123802

IUPACtert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid
SMILESCOCC(C)(C)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO3/c1-9(2,3)11(8(12)13)10(4,5)7-14-6/h7H2,1-6H3,(H,12,13)
InChIKeyQRJNVZFIKRRXBM-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.19
Rot. Bonds3

About tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid

tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid (PubChem CID 89123802) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid
PubChem CID89123802
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid
SMILESCOCC(C)(C)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO3/c1-9(2,3)11(8(12)13)10(4,5)7-14-6/h7H2,1-6H3,(H,12,13)
InChIKeyQRJNVZFIKRRXBM-UHFFFAOYSA-N
XLogP2.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid?
The IUPAC name of tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid (CID 89123802) is tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid?
The canonical SMILES for tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid is COCC(C)(C)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid?
The InChIKey is QRJNVZFIKRRXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2,3)11(8(12)13)10(4,5)7-14-6/h7H2,1-6H3,(H,12,13).
What are the key properties of tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid?
tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid has a molecular weight of 203.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid is sourced from PubChem (CID 89123802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).