2-carbamoyl-8-hydroxy-2-methyloctanoic acid

C10H19NO4 — CID 107708146

IUPAC2-carbamoyl-8-hydroxy-2-methyloctanoic acid
SMILESCC(CCCCCCO)(C(N)=O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(8(11)13,9(14)15)6-4-2-3-5-7-12/h12H,2-7H2,1H3,(H2,11,13)(H,14,15)
InChIKeyBQAUFQWOZDGNCI-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.51
Rot. Bonds8

About 2-carbamoyl-8-hydroxy-2-methyloctanoic acid

2-carbamoyl-8-hydroxy-2-methyloctanoic acid (PubChem CID 107708146) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-carbamoyl-8-hydroxy-2-methyloctanoic acid.

Molecular Properties

Compound Name2-carbamoyl-8-hydroxy-2-methyloctanoic acid
PubChem CID107708146
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-carbamoyl-8-hydroxy-2-methyloctanoic acid
SMILESCC(CCCCCCO)(C(N)=O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(8(11)13,9(14)15)6-4-2-3-5-7-12/h12H,2-7H2,1H3,(H2,11,13)(H,14,15)
InChIKeyBQAUFQWOZDGNCI-UHFFFAOYSA-N
XLogP0.51
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxybutyl)-2-methylpropanedioic acid
CID 11788743
6-hydroxy-2,2-dimethylhexanamide
CID 21402976
18-hydroxy-2,2-dimethyloctadecanoic acid
CID 12988628
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
2-heptyl-2-methylpropanedioic acid
CID 89147986
8-hydroxy-2-methyl-2-propan-2-yloctanoic acid
CID 107704755
2-carbamoyl-2-methylhex-5-enoic acid
CID 114899922
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
2-carbamoyl-4-ethoxy-2-methylbutanoic acid
CID 114899702
2-ethoxycarbonyl-2-ethyl-8-hydroxyoctanoic acid
CID 107708130
2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
CID 114899712
2-cyclopropyl-7-hydroxy-2-methylheptanoic acid
CID 83148520

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-8-hydroxy-2-methyloctanoic acid?
The IUPAC name of 2-carbamoyl-8-hydroxy-2-methyloctanoic acid (CID 107708146) is 2-carbamoyl-8-hydroxy-2-methyloctanoic acid.
What is the SMILES notation for 2-carbamoyl-8-hydroxy-2-methyloctanoic acid?
The canonical SMILES for 2-carbamoyl-8-hydroxy-2-methyloctanoic acid is CC(CCCCCCO)(C(N)=O)C(=O)O.
What is the InChIKey of 2-carbamoyl-8-hydroxy-2-methyloctanoic acid?
The InChIKey is BQAUFQWOZDGNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(8(11)13,9(14)15)6-4-2-3-5-7-12/h12H,2-7H2,1H3,(H2,11,13)(H,14,15).
What are the key properties of 2-carbamoyl-8-hydroxy-2-methyloctanoic acid?
2-carbamoyl-8-hydroxy-2-methyloctanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-8-hydroxy-2-methyloctanoic acid is sourced from PubChem (CID 107708146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).