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

C12H23NO4 — CID 138987433

IUPAC2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NCCCC(C)(C)C(=O)O
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-10(16)13-8-6-7-12(4,5)9(14)15/h6-8H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyBWJMWRYGOMYWQD-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.40
Rot. Bonds5

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

2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 138987433) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID138987433
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NCCCC(C)(C)C(=O)O
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-10(16)13-8-6-7-12(4,5)9(14)15/h6-8H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyBWJMWRYGOMYWQD-UHFFFAOYSA-N
XLogP2.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.40
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-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 138987433) is 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(C)(C)OC(=O)NCCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is BWJMWRYGOMYWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2,3)17-10(16)13-8-6-7-12(4,5)9(14)15/h6-8H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 138987433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).