2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid

C15H29NO4 — CID 14599888

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid
SMILESCCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H29NO4/c1-5-6-7-8-9-10-11-12(13(17)18)16-14(19)20-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyOXOZMSCSDJPGHN-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.71
Rot. Bonds9

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid (PubChem CID 14599888) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid
PubChem CID14599888
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid
SMILESCCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H29NO4/c1-5-6-7-8-9-10-11-12(13(17)18)16-14(19)20-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyOXOZMSCSDJPGHN-UHFFFAOYSA-N
XLogP3.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid (CID 14599888) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid is CCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid?
The InChIKey is OXOZMSCSDJPGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-11-12(13(17)18)16-14(19)20-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid has a molecular weight of 287.40 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid is sourced from PubChem (CID 14599888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).