[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid

C7H15NO4 — CID 87536176

IUPAC[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(COCCO)NC(=O)O
InChIInChI=1S/C7H15NO4/c1-7(2,8-6(10)11)5-12-4-3-9/h8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeyCJHQGGXXNWGAKL-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.04
Rot. Bonds5

About [1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid

[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid (PubChem CID 87536176) 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]carbamic acid.

Molecular Properties

Compound Name[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid
PubChem CID87536176
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(COCCO)NC(=O)O
InChIInChI=1S/C7H15NO4/c1-7(2,8-6(10)11)5-12-4-3-9/h8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeyCJHQGGXXNWGAKL-UHFFFAOYSA-N
XLogP0.04
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(2-hydroxyethoxy)ethylsulfanyl]-2-methylbutan-2-yl]carbamic acid
CID 123413355
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
N-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]acetamide
CID 146605936
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate
CID 87715215
4-(2-hydroxyethoxy)-2-methoxycarbonyl-2-methylbutanoic acid
CID 114899523
2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
CID 175224528
2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2-dimethylpropanoic acid;2-(2-hydroxyethoxy)ethanol
CID 87452046
1-[2-(2-hydroxyethoxy)ethoxy]-2-[[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl]amino]propan-2-ol
CID 87314889
(5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid
CID 88951304
2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 115000691
2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol
CID 167253727

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid (CID 87536176) is [1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid is CC(C)(COCCO)NC(=O)O.
What is the InChIKey of [1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid?
The InChIKey is CJHQGGXXNWGAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-7(2,8-6(10)11)5-12-4-3-9/h8-9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of [1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid?
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid has a molecular weight of 177.20 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 87536176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).