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

C10H19NO4 — CID 545848

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NCCCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyGFMRZAMDGJIWRB-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.77
Rot. Bonds5

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

5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 545848) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID545848
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NCCCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyGFMRZAMDGJIWRB-UHFFFAOYSA-N
XLogP1.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.77
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 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 545848) is 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(C)(C)OC(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is GFMRZAMDGJIWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 545848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).