3-(benzylamino)oxypropane-1,2-diol

C10H15NO3 — CID 174800066

IUPAC3-(benzylamino)oxypropane-1,2-diol
SMILESOCC(O)CONCc1ccccc1
InChIInChI=1S/C10H15NO3/c12-7-10(13)8-14-11-6-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2
InChIKeyMHCYZMXUPXIEBH-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.06
Rot. Bonds6

About 3-(benzylamino)oxypropane-1,2-diol

3-(benzylamino)oxypropane-1,2-diol (PubChem CID 174800066) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(benzylamino)oxypropane-1,2-diol.

Molecular Properties

Compound Name3-(benzylamino)oxypropane-1,2-diol
PubChem CID174800066
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(benzylamino)oxypropane-1,2-diol
SMILESOCC(O)CONCc1ccccc1
InChIInChI=1S/C10H15NO3/c12-7-10(13)8-14-11-6-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2
InChIKeyMHCYZMXUPXIEBH-UHFFFAOYSA-N
XLogP0.06
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 3-(benzylamino)oxypropane-1,2-diol?
The IUPAC name of 3-(benzylamino)oxypropane-1,2-diol (CID 174800066) is 3-(benzylamino)oxypropane-1,2-diol.
What is the SMILES notation for 3-(benzylamino)oxypropane-1,2-diol?
The canonical SMILES for 3-(benzylamino)oxypropane-1,2-diol is OCC(O)CONCc1ccccc1.
What is the InChIKey of 3-(benzylamino)oxypropane-1,2-diol?
The InChIKey is MHCYZMXUPXIEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-7-10(13)8-14-11-6-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2.
What are the key properties of 3-(benzylamino)oxypropane-1,2-diol?
3-(benzylamino)oxypropane-1,2-diol has a molecular weight of 197.23 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)oxypropane-1,2-diol is sourced from PubChem (CID 174800066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).