tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate

C10H19NO4 — CID 163823990

IUPACtert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate
SMILESC=C(O)COCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-8(12)7-14-6-5-11-9(13)15-10(2,3)4/h12H,1,5-7H2,2-4H3,(H,11,13)
InChIKeyNXVKHXSUIXIQJE-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.60
Rot. Bonds5

About tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate

tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate (PubChem CID 163823990) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate
PubChem CID163823990
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate
SMILESC=C(O)COCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-8(12)7-14-6-5-11-9(13)15-10(2,3)4/h12H,1,5-7H2,2-4H3,(H,11,13)
InChIKeyNXVKHXSUIXIQJE-UHFFFAOYSA-N
XLogP1.60
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]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

2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
CID 142814707
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
CID 103658687
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 51341057
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 75534948
tert-butyl N-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 11046862
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid
CID 166714895
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate (CID 163823990) is tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate is C=C(O)COCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate?
The InChIKey is NXVKHXSUIXIQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(12)7-14-6-5-11-9(13)15-10(2,3)4/h12H,1,5-7H2,2-4H3,(H,11,13).
What are the key properties of tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate?
tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate has a molecular weight of 217.26 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate is sourced from PubChem (CID 163823990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).