5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid

C10H17NO4 — CID 91406098

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid
SMILESCC(C)(C)OC(=O)N=CCCCC(=O)O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyPENCRSJYUHZVNW-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.25
Rot. Bonds4

About 5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid

5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid (PubChem CID 91406098) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid
PubChem CID91406098
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid
SMILESCC(C)(C)OC(=O)N=CCCCC(=O)O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyPENCRSJYUHZVNW-UHFFFAOYSA-N
XLogP2.25
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-[(2-Methylpropan-2-yl)oxycarbonylimino]hexanoic acid
CID 90716006
9-[(2-Methylpropan-2-yl)oxycarbonylimino]nonanoic acid
CID 90716755
8-[(2-Methylpropan-2-yl)oxycarbonylimino]octanoic acid
CID 91401670
7-[(2-Methylpropan-2-yl)oxycarbonylimino]heptanoic acid
CID 91404373
4-[(2-Methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 152806763
2-[(2-Methylpropan-2-yl)oxycarbonyliminomethyl]butanoic acid
CID 154039097
(3E)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]propanoic acid
CID 156108022
5-methoxy-4-[(E)-(2-methylpropan-2-yl)oxycarbonyliminomethyl]-5-oxopentanoic acid
CID 162756137
2-[(E)-(2-methylpropan-2-yl)oxycarbonyliminomethyl]pentanedioic acid
CID 162756458
5-Methyl-3-[(2-methylpropan-2-yl)oxycarbonyliminomethyl]hexanoic acid
CID 167047260
5-Methoxy-4-[(2-methylpropan-2-yl)oxycarbonyliminomethyl]-5-oxopentanoic acid
CID 170014642
(4Z)-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 170621954

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid (CID 91406098) is 5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid is CC(C)(C)OC(=O)N=CCCCC(=O)O.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid?
The InChIKey is PENCRSJYUHZVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid?
5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid has a molecular weight of 215.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoic acid is sourced from PubChem (CID 91406098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).