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

C10H17NO4 — CID 159246381

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid
SMILESCC(CCC(=O)O)=NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-7(5-6-8(12)13)11-9(14)15-10(2,3)4/h5-6H2,1-4H3,(H,12,13)
InChIKeyMDRMGUXOBNFCRV-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.25
Rot. Bonds3

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

4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid (PubChem CID 159246381) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid
PubChem CID159246381
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid
SMILESCC(CCC(=O)O)=NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-7(5-6-8(12)13)11-9(14)15-10(2,3)4/h5-6H2,1-4H3,(H,12,13)
InChIKeyMDRMGUXOBNFCRV-UHFFFAOYSA-N
XLogP2.25
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.25
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]pentanoic 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-Methyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid
CID 56631024
2-[(2-Methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 58767451
5-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]hexanoic acid
CID 91095338
4-Carboxyiminopentanoic acid
CID 91203926
5-[(2-Methylpropan-2-yl)oxycarbonylimino]pentanoic acid
CID 91406098
4,4-Dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid
CID 91507469
3-Butoxycarbonylimino-2-methylpentanoic acid
CID 123360547
4-Tert-butyliminopentanoic acid
CID 146611944
4-Acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 163440087
Methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate
CID 163534860
5-Methoxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]-5-oxopentanoic acid
CID 164060894
5-Methoxy-2-[(2-methylpropan-2-yl)oxycarbonylimino]-5-oxopentanoic acid
CID 173695526

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid (CID 159246381) is 4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid is CC(CCC(=O)O)=NC(=O)OC(C)(C)C.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid?
The InChIKey is MDRMGUXOBNFCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(5-6-8(12)13)11-9(14)15-10(2,3)4/h5-6H2,1-4H3,(H,12,13).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid?
4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid has a molecular weight of 215.25 g/mol, XLogP of 2.25, 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]pentanoic acid is sourced from PubChem (CID 159246381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).