methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride

C9H18ClNO4 — CID 91978788

IUPACmethyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)COC1CCCCO1.Cl
InChIInChI=1S/C9H17NO4.ClH/c1-12-9(11)7(10)6-14-8-4-2-3-5-13-8;/h7-8H,2-6,10H2,1H3;1H/t7-,8?;/m0./s1
InChIKeyDPSYOBGBSJFBLP-JPPWUZRISA-N
MW239.70 g/mol
LogP0.45
Rot. Bonds4

About methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride

methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride (PubChem CID 91978788) has the molecular formula C9H18ClNO4 and a molecular weight of 239.70 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride
PubChem CID91978788
Molecular FormulaC9H18ClNO4
Molecular Weight239.70 g/mol
Exact Mass239.09
IUPAC Namemethyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)COC1CCCCO1.Cl
InChIInChI=1S/C9H17NO4.ClH/c1-12-9(11)7(10)6-14-8-4-2-3-5-13-8;/h7-8H,2-6,10H2,1H3;1H/t7-,8?;/m0./s1
InChIKeyDPSYOBGBSJFBLP-JPPWUZRISA-N
XLogP0.45
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxan-2-yloxy)propanoate
CID 11315644
methyl (2R)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoate
CID 800032
2-amino-6-(oxan-2-yloxy)hexanoic acid
CID 146471509
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
2-(oxan-2-yloxymethyl)pentyl propanoate
CID 138656444
(6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one
CID 11622725
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride (CID 91978788) is methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride is COC(=O)[C@@H](N)COC1CCCCO1.Cl.
What is the InChIKey of methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride?
The InChIKey is DPSYOBGBSJFBLP-JPPWUZRISA-N. The full InChI is InChI=1S/C9H17NO4.ClH/c1-12-9(11)7(10)6-14-8-4-2-3-5-13-8;/h7-8H,2-6,10H2,1H3;1H/t7-,8?;/m0./s1.
What are the key properties of methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride?
methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride is sourced from PubChem (CID 91978788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).