[(2R)-2-amino-3-chloropropyl] benzoate

C10H12ClNO2 — CID 40622479

IUPAC[(2R)-2-amino-3-chloropropyl] benzoate
SMILESN[C@@H](CCl)COC(=O)c1ccccc1
InChIInChI=1S/C10H12ClNO2/c11-6-9(12)7-14-10(13)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1
InChIKeyWOGWEXPUVICSGF-VIFPVBQESA-N
MW213.66 g/mol
LogP1.41
Rot. Bonds4

About [(2R)-2-amino-3-chloropropyl] benzoate

[(2R)-2-amino-3-chloropropyl] benzoate (PubChem CID 40622479) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is [(2R)-2-amino-3-chloropropyl] benzoate.

Molecular Properties

Compound Name[(2R)-2-amino-3-chloropropyl] benzoate
PubChem CID40622479
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name[(2R)-2-amino-3-chloropropyl] benzoate
SMILESN[C@@H](CCl)COC(=O)c1ccccc1
InChIInChI=1S/C10H12ClNO2/c11-6-9(12)7-14-10(13)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1
InChIKeyWOGWEXPUVICSGF-VIFPVBQESA-N
XLogP1.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
2-aminodecyl benzoate
CID 141308993
[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 14018806
[(2S,3R,4S,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 24838313
[2-(chloromethoxy)-3-iodopropyl] benzoate
CID 15153046
chloroethane;ethyl benzoate
CID 91175503
(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802
[3-(benzoyloxymethyl)-2-benzyl-4-phenylbutyl] benzoate
CID 141068150
[(2R)-3-bromo-2-hydroxypropyl] benzoate
CID 102180802
[(2S)-3-bromo-2-hydroxypropyl] benzoate
CID 102158882
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
[(2R)-2-phenylpropyl] benzoate
CID 101021839

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-chloropropyl] benzoate?
The IUPAC name of [(2R)-2-amino-3-chloropropyl] benzoate (CID 40622479) is [(2R)-2-amino-3-chloropropyl] benzoate.
What is the SMILES notation for [(2R)-2-amino-3-chloropropyl] benzoate?
The canonical SMILES for [(2R)-2-amino-3-chloropropyl] benzoate is N[C@@H](CCl)COC(=O)c1ccccc1.
What is the InChIKey of [(2R)-2-amino-3-chloropropyl] benzoate?
The InChIKey is WOGWEXPUVICSGF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-6-9(12)7-14-10(13)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1.
What are the key properties of [(2R)-2-amino-3-chloropropyl] benzoate?
[(2R)-2-amino-3-chloropropyl] benzoate has a molecular weight of 213.66 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-chloropropyl] benzoate is sourced from PubChem (CID 40622479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).