[(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol

C15H21NO2 — CID 118642643

IUPAC[(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol
SMILESN[C@@]1(c2ccccc2)CO[C@@H](C2CC2)C[C@H]1CO
InChIInChI=1S/C15H21NO2/c16-15(12-4-2-1-3-5-12)10-18-14(11-6-7-11)8-13(15)9-17/h1-5,11,13-14,17H,6-10,16H2/t13-,14+,15+/m0/s1
InChIKeyLDBYEKSIXKSLNO-RRFJBIMHSA-N
MW247.34 g/mol
LogP1.65
Rot. Bonds3

About [(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol

[(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol (PubChem CID 118642643) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol
PubChem CID118642643
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol
SMILESN[C@@]1(c2ccccc2)CO[C@@H](C2CC2)C[C@H]1CO
InChIInChI=1S/C15H21NO2/c16-15(12-4-2-1-3-5-12)10-18-14(11-6-7-11)8-13(15)9-17/h1-5,11,13-14,17H,6-10,16H2/t13-,14+,15+/m0/s1
InChIKeyLDBYEKSIXKSLNO-RRFJBIMHSA-N
XLogP1.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol?
The IUPAC name of [(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol (CID 118642643) is [(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol.
What is the SMILES notation for [(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol?
The canonical SMILES for [(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol is N[C@@]1(c2ccccc2)CO[C@@H](C2CC2)C[C@H]1CO.
What is the InChIKey of [(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol?
The InChIKey is LDBYEKSIXKSLNO-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H21NO2/c16-15(12-4-2-1-3-5-12)10-18-14(11-6-7-11)8-13(15)9-17/h1-5,11,13-14,17H,6-10,16H2/t13-,14+,15+/m0/s1.
What are the key properties of [(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol?
[(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol has a molecular weight of 247.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5S)-5-amino-2-cyclopropyl-5-phenyloxan-4-yl]methanol is sourced from PubChem (CID 118642643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).