4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid

C9H15NO4 — CID 152806763

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
SMILESCC(C)(C)OC(=O)N=CCCC(=O)O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6-4-5-7(11)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeySPQPJCRPUVJGJS-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.86
Rot. Bonds3

About 4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid

4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid (PubChem CID 152806763) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
PubChem CID152806763
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
SMILESCC(C)(C)OC(=O)N=CCCC(=O)O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6-4-5-7(11)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeySPQPJCRPUVJGJS-UHFFFAOYSA-N
XLogP1.86
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic 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

2-[(2-Methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 58767451
6-[(2-Methylpropan-2-yl)oxycarbonylimino]hexanoic acid
CID 90716006
5-[(2-Methylpropan-2-yl)oxycarbonylimino]pentanoic acid
CID 91406098
2-(Methoxycarbonyliminomethyl)-3-methylbutanoic acid
CID 124034176
2-(Methoxycarbonyliminomethyl)butanoic acid
CID 132032040
2-[(Z)-methoxycarbonyliminomethyl]-3-methylbutanoic acid
CID 132032158
4-[(2-Methylpropan-2-yl)oxycarbonylimino]-3-oxobutanoic acid
CID 140185234
2-[(2-Methylpropan-2-yl)oxycarbonyliminomethyl]butanoic acid
CID 154039097
(3E)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]propanoic acid
CID 156108022
(4Z)-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 170621954
2-Methyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]propanoic acid
CID 173923263
2,2-Dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 174257028

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid (CID 152806763) is 4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid is CC(C)(C)OC(=O)N=CCCC(=O)O.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid?
The InChIKey is SPQPJCRPUVJGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6-4-5-7(11)12/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid?
4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid has a molecular weight of 201.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid is sourced from PubChem (CID 152806763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).