(2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol

C15H29NO4 — CID 54051232

IUPAC(2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol
SMILESCCC(C)NC[C@@H]1O[C@@H](OC2CCCCC2)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H29NO4/c1-3-10(2)16-9-12-13(17)14(18)15(20-12)19-11-7-5-4-6-8-11/h10-18H,3-9H2,1-2H3/t10?,12-,13+,14+,15+/m0/s1
InChIKeyLSZUMEPJTCCRIW-GIPIHTCXSA-N
MW287.40 g/mol
LogP1.17
Rot. Bonds6

About (2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol

(2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol (PubChem CID 54051232) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol
PubChem CID54051232
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name(2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol
SMILESCCC(C)NC[C@@H]1O[C@@H](OC2CCCCC2)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H29NO4/c1-3-10(2)16-9-12-13(17)14(18)15(20-12)19-11-7-5-4-6-8-11/h10-18H,3-9H2,1-2H3/t10?,12-,13+,14+,15+/m0/s1
InChIKeyLSZUMEPJTCCRIW-GIPIHTCXSA-N
XLogP1.17
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-6-cyclohexyloxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11774580
(2R,3S,4S,5R,6R)-2-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]oxan-2-yl]oxyoxane-3,4,5-triol
CID 101040441
2-tridecyl-N-[[(3S,4S,6S)-3,4,5-trihydroxy-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide
CID 89078644
(2R,3R,4S,5S,6R)-2-[(1S,2S)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11380413
1,1-diethoxyethane;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 118873055
(2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol
CID 54121155
(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(3-methylbutoxy)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134250585
2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide
CID 60648633
(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 154452066
(2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163679264
(2R,3R,5S)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163580885
(2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 163711682

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol?
The IUPAC name of (2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol (CID 54051232) is (2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol.
What is the SMILES notation for (2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol?
The canonical SMILES for (2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol is CCC(C)NC[C@@H]1O[C@@H](OC2CCCCC2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol?
The InChIKey is LSZUMEPJTCCRIW-GIPIHTCXSA-N. The full InChI is InChI=1S/C15H29NO4/c1-3-10(2)16-9-12-13(17)14(18)15(20-12)19-11-7-5-4-6-8-11/h10-18H,3-9H2,1-2H3/t10?,12-,13+,14+,15+/m0/s1.
What are the key properties of (2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol?
(2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol has a molecular weight of 287.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-[(butan-2-ylamino)methyl]-5-cyclohexyloxyoxolane-3,4-diol is sourced from PubChem (CID 54051232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).