(2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol

C9H19NO2 — CID 89225706

IUPAC(2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol
SMILESCC1CC(N)[C@H](O)[C@H](C(C)C)O1
InChIInChI=1S/C9H19NO2/c1-5(2)9-8(11)7(10)4-6(3)12-9/h5-9,11H,4,10H2,1-3H3/t6?,7?,8-,9-/m0/s1
InChIKeyRDUYJGRYWDQEFZ-PEBLOWIWSA-N
MW173.26 g/mol
LogP0.51
Rot. Bonds1

About (2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol

(2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol (PubChem CID 89225706) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol.

Molecular Properties

Compound Name(2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol
PubChem CID89225706
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol
SMILESCC1CC(N)[C@H](O)[C@H](C(C)C)O1
InChIInChI=1S/C9H19NO2/c1-5(2)9-8(11)7(10)4-6(3)12-9/h5-9,11H,4,10H2,1-3H3/t6?,7?,8-,9-/m0/s1
InChIKeyRDUYJGRYWDQEFZ-PEBLOWIWSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 89411156
(2S,3R,4S,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 134195892
(2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol
CID 91265952
(5S,6S)-4-amino-6-methyloxane-2,5-diol
CID 55284628
4-methyl-5-propan-2-yloxolan-2-ol
CID 85393181
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
3-methoxy-6-propan-2-yloxane-2,4,5-triol
CID 170198927
(2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride
CID 91980014
(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
CID 131085661
(2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol
CID 139322242
(2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol
CID 164775784
5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol
CID 135176461

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol?
The IUPAC name of (2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol (CID 89225706) is (2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol.
What is the SMILES notation for (2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol?
The canonical SMILES for (2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol is CC1CC(N)[C@H](O)[C@H](C(C)C)O1.
What is the InChIKey of (2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol?
The InChIKey is RDUYJGRYWDQEFZ-PEBLOWIWSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5(2)9-8(11)7(10)4-6(3)12-9/h5-9,11H,4,10H2,1-3H3/t6?,7?,8-,9-/m0/s1.
What are the key properties of (2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol?
(2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol has a molecular weight of 173.26 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol is sourced from PubChem (CID 89225706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).