dimethylamino 5-chloro-4-hydroxypentanoate

C7H14ClNO3 — CID 174746676

IUPACdimethylamino 5-chloro-4-hydroxypentanoate
SMILESCN(C)OC(=O)CCC(O)CCl
InChIInChI=1S/C7H14ClNO3/c1-9(2)12-7(11)4-3-6(10)5-8/h6,10H,3-5H2,1-2H3
InChIKeyNMDZXSIRKOCMNL-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.39
Rot. Bonds5

About dimethylamino 5-chloro-4-hydroxypentanoate

dimethylamino 5-chloro-4-hydroxypentanoate (PubChem CID 174746676) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is dimethylamino 5-chloro-4-hydroxypentanoate.

Molecular Properties

Compound Namedimethylamino 5-chloro-4-hydroxypentanoate
PubChem CID174746676
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Namedimethylamino 5-chloro-4-hydroxypentanoate
SMILESCN(C)OC(=O)CCC(O)CCl
InChIInChI=1S/C7H14ClNO3/c1-9(2)12-7(11)4-3-6(10)5-8/h6,10H,3-5H2,1-2H3
InChIKeyNMDZXSIRKOCMNL-UHFFFAOYSA-N
XLogP0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylamino 5-chloro-4-hydroxypentanoate?
The IUPAC name of dimethylamino 5-chloro-4-hydroxypentanoate (CID 174746676) is dimethylamino 5-chloro-4-hydroxypentanoate.
What is the SMILES notation for dimethylamino 5-chloro-4-hydroxypentanoate?
The canonical SMILES for dimethylamino 5-chloro-4-hydroxypentanoate is CN(C)OC(=O)CCC(O)CCl.
What is the InChIKey of dimethylamino 5-chloro-4-hydroxypentanoate?
The InChIKey is NMDZXSIRKOCMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3/c1-9(2)12-7(11)4-3-6(10)5-8/h6,10H,3-5H2,1-2H3.
What are the key properties of dimethylamino 5-chloro-4-hydroxypentanoate?
dimethylamino 5-chloro-4-hydroxypentanoate has a molecular weight of 195.65 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino 5-chloro-4-hydroxypentanoate is sourced from PubChem (CID 174746676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).