5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid

C10H19NO4 — CID 174754144

IUPAC5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid
SMILESCC(=O)OCCCC(C)(C(=O)O)N(C)C
InChIInChI=1S/C10H19NO4/c1-8(12)15-7-5-6-10(2,9(13)14)11(3)4/h5-7H2,1-4H3,(H,13,14)
InChIKeyAZNOYCMNHXCVJP-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.73
Rot. Bonds6

About 5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid

5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid (PubChem CID 174754144) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid
PubChem CID174754144
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid
SMILESCC(=O)OCCCC(C)(C(=O)O)N(C)C
InChIInChI=1S/C10H19NO4/c1-8(12)15-7-5-6-10(2,9(13)14)11(3)4/h5-7H2,1-4H3,(H,13,14)
InChIKeyAZNOYCMNHXCVJP-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethylhexyl acetate
CID 90020632
2,2-bis(4-acetyloxybutyl)propanedioic acid
CID 122217541
4,4-diethylhexyl acetate
CID 150852527
(4,4-dimethyl-7-oxooctyl) acetate
CID 11127631
11-acetyloxyundecyl acetate
CID 87784419
(4-bromo-4,4-difluorobutyl) acetate
CID 19915379
(4,4-dichloro-4-silylbutyl) acetate
CID 173246962
2-(4-acetyloxybutyl)-2-ethylpropanedioic acid
CID 122217540
3,3,3-trichloropropyl acetate
CID 14970937
acetic acid;butyl acetate
CID 158450873
(8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate
CID 118257803
5-acetyloxypentanoic acid
CID 12642003

Frequently Asked Questions

What is the IUPAC name of 5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid?
The IUPAC name of 5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid (CID 174754144) is 5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid?
The canonical SMILES for 5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid is CC(=O)OCCCC(C)(C(=O)O)N(C)C.
What is the InChIKey of 5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid?
The InChIKey is AZNOYCMNHXCVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(12)15-7-5-6-10(2,9(13)14)11(3)4/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid?
5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyloxy-2-(dimethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 174754144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).