tert-butyl(2-morpholin-4-ylethyl)carbamic acid

C11H22N2O3 — CID 66586884

IUPACtert-butyl(2-morpholin-4-ylethyl)carbamic acid
SMILESCC(C)(C)N(CCN1CCOCC1)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)13(10(14)15)5-4-12-6-8-16-9-7-12/h4-9H2,1-3H3,(H,14,15)
InChIKeyBEYRDDPVDZKDAH-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.10
Rot. Bonds3

About tert-butyl(2-morpholin-4-ylethyl)carbamic acid

tert-butyl(2-morpholin-4-ylethyl)carbamic acid (PubChem CID 66586884) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl(2-morpholin-4-ylethyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(2-morpholin-4-ylethyl)carbamic acid
PubChem CID66586884
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl(2-morpholin-4-ylethyl)carbamic acid
SMILESCC(C)(C)N(CCN1CCOCC1)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)13(10(14)15)5-4-12-6-8-16-9-7-12/h4-9H2,1-3H3,(H,14,15)
InChIKeyBEYRDDPVDZKDAH-UHFFFAOYSA-N
XLogP1.10
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(2-morpholin-4-ylethyl)carbamic acid?
The IUPAC name of tert-butyl(2-morpholin-4-ylethyl)carbamic acid (CID 66586884) is tert-butyl(2-morpholin-4-ylethyl)carbamic acid.
What is the SMILES notation for tert-butyl(2-morpholin-4-ylethyl)carbamic acid?
The canonical SMILES for tert-butyl(2-morpholin-4-ylethyl)carbamic acid is CC(C)(C)N(CCN1CCOCC1)C(=O)O.
What is the InChIKey of tert-butyl(2-morpholin-4-ylethyl)carbamic acid?
The InChIKey is BEYRDDPVDZKDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)13(10(14)15)5-4-12-6-8-16-9-7-12/h4-9H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl(2-morpholin-4-ylethyl)carbamic acid?
tert-butyl(2-morpholin-4-ylethyl)carbamic acid has a molecular weight of 230.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-morpholin-4-ylethyl)carbamic acid is sourced from PubChem (CID 66586884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).