(2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol

C15H30N2O3 — CID 11033464

IUPAC(2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CN1CCOCC1
InChIInChI=1S/C15H30N2O3/c16-13(10-12-4-2-1-3-5-12)15(19)14(18)11-17-6-8-20-9-7-17/h12-15,18-19H,1-11,16H2/t13-,14-,15+/m0/s1
InChIKeyNHDDZVQPIPEHDA-SOUVJXGZSA-N
MW286.42 g/mol
LogP0.34
Rot. Bonds6

About (2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol

(2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol (PubChem CID 11033464) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol.

Molecular Properties

Compound Name(2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol
PubChem CID11033464
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name(2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CN1CCOCC1
InChIInChI=1S/C15H30N2O3/c16-13(10-12-4-2-1-3-5-12)15(19)14(18)11-17-6-8-20-9-7-17/h12-15,18-19H,1-11,16H2/t13-,14-,15+/m0/s1
InChIKeyNHDDZVQPIPEHDA-SOUVJXGZSA-N
XLogP0.34
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol?
The IUPAC name of (2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol (CID 11033464) is (2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol.
What is the SMILES notation for (2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol?
The canonical SMILES for (2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol is N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CN1CCOCC1.
What is the InChIKey of (2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol?
The InChIKey is NHDDZVQPIPEHDA-SOUVJXGZSA-N. The full InChI is InChI=1S/C15H30N2O3/c16-13(10-12-4-2-1-3-5-12)15(19)14(18)11-17-6-8-20-9-7-17/h12-15,18-19H,1-11,16H2/t13-,14-,15+/m0/s1.
What are the key properties of (2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol?
(2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol has a molecular weight of 286.42 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol is sourced from PubChem (CID 11033464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).