(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride

C8H18ClNO2 — CID 176655691

IUPAC(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CO)C[C@H]1CCCCO1
InChIInChI=1S/C8H17NO2.ClH/c9-7(6-10)5-8-3-1-2-4-11-8;/h7-8,10H,1-6,9H2;1H/t7-,8-;/m1./s1
InChIKeyICQKYGJXHURQTN-SCLLHFNJSA-N
MW195.69 g/mol
LogP0.69
Rot. Bonds3

About (2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride

(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride (PubChem CID 176655691) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is (2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride
PubChem CID176655691
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CO)C[C@H]1CCCCO1
InChIInChI=1S/C8H17NO2.ClH/c9-7(6-10)5-8-3-1-2-4-11-8;/h7-8,10H,1-6,9H2;1H/t7-,8-;/m1./s1
InChIKeyICQKYGJXHURQTN-SCLLHFNJSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
1-cyclopropyl-3-(oxolan-2-yl)propan-2-amine
CID 64905481
(2R)-2-amino-3-(oxan-2-yl)propanoic acid
CID 106702780
[(2S)-oxan-2-yl]methanol
CID 6950811
(2R)-2-(2-methylpropyl)oxane
CID 58653197
ethanol;oxan-2-ylmethanol
CID 66900182
ethyl 2-methoxy-3-(oxan-2-yl)propanoate
CID 10727451
oxan-2-ylmethyl 2-amino-3-hydroxypropanoate
CID 61279858
1-methoxy-3-(oxolan-2-yl)propan-2-amine
CID 62604472
5-methyl-1-(oxolan-2-yl)hexan-2-amine
CID 62599893
(2R)-2-amino-3-[(2R)-oxolan-2-yl]propanoic acid;hydrochloride
CID 155943705
1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
CID 113391539

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride?
The IUPAC name of (2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride (CID 176655691) is (2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride is Cl.N[C@@H](CO)C[C@H]1CCCCO1.
What is the InChIKey of (2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride?
The InChIKey is ICQKYGJXHURQTN-SCLLHFNJSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c9-7(6-10)5-8-3-1-2-4-11-8;/h7-8,10H,1-6,9H2;1H/t7-,8-;/m1./s1.
What are the key properties of (2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride?
(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride is sourced from PubChem (CID 176655691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).