[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate

C7H15NO4 — CID 87715215

IUPAC[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(COCCO)OC(N)=O
InChIInChI=1S/C7H15NO4/c1-7(2,12-6(8)10)5-11-4-3-9/h9H,3-5H2,1-2H3,(H2,8,10)
InChIKeySPVXNLLUBMIEPO-UHFFFAOYSA-N
MW177.20 g/mol
LogP-0.13
Rot. Bonds5

About [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate

[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate (PubChem CID 87715215) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate
PubChem CID87715215
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(COCCO)OC(N)=O
InChIInChI=1S/C7H15NO4/c1-7(2,12-6(8)10)5-11-4-3-9/h9H,3-5H2,1-2H3,(H2,8,10)
InChIKeySPVXNLLUBMIEPO-UHFFFAOYSA-N
XLogP-0.13
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-(2-hydroxyethoxy)-2-methylpropan-2-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

(1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate
CID 175396016
2-[2-(2-methoxy-2-methylpropoxy)ethoxy]ethanol
CID 174420073
2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate
CID 166662738
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
(5-fluoro-2-methylpentan-2-yl) carbamate
CID 150885569
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl] propanoate
CID 139750377
2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
CID 18552285
2-ethoxy-1-(2-ethoxyethoxy)-2-methylpropane;2-(2-hydroxyethoxy)ethanol
CID 161457793
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid
CID 87536176

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate (CID 87715215) is [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate is CC(C)(COCCO)OC(N)=O.
What is the InChIKey of [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate?
The InChIKey is SPVXNLLUBMIEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-7(2,12-6(8)10)5-11-4-3-9/h9H,3-5H2,1-2H3,(H2,8,10).
What are the key properties of [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate?
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate has a molecular weight of 177.20 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 87715215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).