N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate

C11H20NO4- — CID 86619945

IUPACN-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate
SMILESCC(C)(C)N(C(=O)[O-])C1(CO)CCOCC1
InChIInChI=1S/C11H21NO4/c1-10(2,3)12(9(14)15)11(8-13)4-6-16-7-5-11/h13H,4-8H2,1-3H3,(H,14,15)/p-1
InChIKeySSUQCDKGADDOCS-UHFFFAOYSA-M
MW230.28 g/mol
LogP-0.03
Rot. Bonds2

About N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate

N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate (PubChem CID 86619945) has the molecular formula C11H20NO4- and a molecular weight of 230.28 g/mol. Its IUPAC name is N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate.

Molecular Properties

Compound NameN-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate
PubChem CID86619945
Molecular FormulaC11H20NO4-
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC NameN-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate
SMILESCC(C)(C)N(C(=O)[O-])C1(CO)CCOCC1
InChIInChI=1S/C11H21NO4/c1-10(2,3)12(9(14)15)11(8-13)4-6-16-7-5-11/h13H,4-8H2,1-3H3,(H,14,15)/p-1
InChIKeySSUQCDKGADDOCS-UHFFFAOYSA-M
XLogP-0.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl-[4-(methoxymethyl)oxan-4-yl]carbamic acid
CID 67223977
Tert-butyl-[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 67224559
tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]-N-methylcarbamate
CID 165768748
[4-(Hydroxymethyl)oxan-4-yl]-methylcarbamic acid
CID 174218773
ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
CID 104630623
methyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
CID 104630660

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The IUPAC name of N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate (CID 86619945) is N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate.
What is the SMILES notation for N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The canonical SMILES for N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate is CC(C)(C)N(C(=O)[O-])C1(CO)CCOCC1.
What is the InChIKey of N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The InChIKey is SSUQCDKGADDOCS-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21NO4/c1-10(2,3)12(9(14)15)11(8-13)4-6-16-7-5-11/h13H,4-8H2,1-3H3,(H,14,15)/p-1.
What are the key properties of N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate has a molecular weight of 230.28 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[4-(hydroxymethyl)oxan-4-yl]carbamate is sourced from PubChem (CID 86619945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).