(2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride

C8H18ClNO2 — CID 91928336

IUPAC(2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](CO)CC1CCCOC1
InChIInChI=1S/C8H17NO2.ClH/c9-8(5-10)4-7-2-1-3-11-6-7;/h7-8,10H,1-6,9H2;1H/t7?,8-;/m0./s1
InChIKeyMSTLEVHFWLPIIG-MTICXXPYSA-N
MW195.69 g/mol
LogP0.54
Rot. Bonds3

About (2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride

(2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride (PubChem CID 91928336) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is (2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride
PubChem CID91928336
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name(2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](CO)CC1CCCOC1
InChIInChI=1S/C8H17NO2.ClH/c9-8(5-10)4-7-2-1-3-11-6-7;/h7-8,10H,1-6,9H2;1H/t7?,8-;/m0./s1
InChIKeyMSTLEVHFWLPIIG-MTICXXPYSA-N
XLogP0.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-(oxan-3-yl)pentanoic acid
CID 63741616
1-(oxan-3-yl)propan-2-amine
CID 63737520
2-fluoro-3-(oxan-3-yl)propan-1-amine
CID 105431675
3-(2-bromopropyl)oxane
CID 164664099
4-amino-5-(oxolan-3-yl)pentanoic acid
CID 62961692
(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305
(2S)-2-fluoro-3-[(3S)-oxan-3-yl]propanoic acid
CID 129372190
ethane;1-N-[1-[ethyl(methyl)amino]ethenyl]-3-[(3R)-oxepan-3-yl]propane-1,2-diamine
CID 143487003
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine
CID 103986756
(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride
CID 176655691
molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane
CID 143487005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride (CID 91928336) is (2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride is Cl.N[C@H](CO)CC1CCCOC1.
What is the InChIKey of (2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride?
The InChIKey is MSTLEVHFWLPIIG-MTICXXPYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c9-8(5-10)4-7-2-1-3-11-6-7;/h7-8,10H,1-6,9H2;1H/t7?,8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride?
(2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 91928336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).