3-carbamoyloxy-2,2,3-trimethylbutanoic acid

C8H15NO4 — CID 163692973

IUPAC3-carbamoyloxy-2,2,3-trimethylbutanoic acid
SMILESCC(C)(OC(N)=O)C(C)(C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-7(2,5(10)11)8(3,4)13-6(9)12/h1-4H3,(H2,9,12)(H,10,11)
InChIKeyJUNJACHKTGCPCQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.97
Rot. Bonds3

About 3-carbamoyloxy-2,2,3-trimethylbutanoic acid

3-carbamoyloxy-2,2,3-trimethylbutanoic acid (PubChem CID 163692973) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-carbamoyloxy-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-carbamoyloxy-2,2,3-trimethylbutanoic acid
PubChem CID163692973
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-carbamoyloxy-2,2,3-trimethylbutanoic acid
SMILESCC(C)(OC(N)=O)C(C)(C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-7(2,5(10)11)8(3,4)13-6(9)12/h1-4H3,(H2,9,12)(H,10,11)
InChIKeyJUNJACHKTGCPCQ-UHFFFAOYSA-N
XLogP0.97
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-carbamoyloxy-2,2,3-trimethylbutanoic acid 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 carbamate;molecular nitrogen
CID 176888665
[dicarbamoyloxy(tricarbamoyloxymethoxy)methyl] carbamate
CID 163462835
3,3,3-triamino-2,2-dimethylpropanoic acid
CID 87392414
(E)-but-2-enedioic acid;tert-butyl carbamate
CID 174561382
(2-carbamoyloxy-3-methylbutan-2-yl) carbamate
CID 54113594
2,3-dimethylbutan-2-yl carbamate
CID 20975410
1,1-diphenylethyl carbamate
CID 20976713
tert-butyl carbamate;cyclopropyne
CID 174661984
3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid
CID 87528916
2,2,3,3-tetramethyl-4-nitrosooxy-4-oxobutanoic acid
CID 175512076
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
CID 175568582
tert-butyl carbamate;1,4-diazabicyclo[2.2.2]octane
CID 130276490

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyloxy-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-carbamoyloxy-2,2,3-trimethylbutanoic acid (CID 163692973) is 3-carbamoyloxy-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-carbamoyloxy-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-carbamoyloxy-2,2,3-trimethylbutanoic acid is CC(C)(OC(N)=O)C(C)(C)C(=O)O.
What is the InChIKey of 3-carbamoyloxy-2,2,3-trimethylbutanoic acid?
The InChIKey is JUNJACHKTGCPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-7(2,5(10)11)8(3,4)13-6(9)12/h1-4H3,(H2,9,12)(H,10,11).
What are the key properties of 3-carbamoyloxy-2,2,3-trimethylbutanoic acid?
3-carbamoyloxy-2,2,3-trimethylbutanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyloxy-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 163692973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).