ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride

C7H16ClNO3 — CID 86621907

IUPACethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride
SMILESCCOC(=O)CO[C@@H](C)CN.Cl
InChIInChI=1S/C7H15NO3.ClH/c1-3-10-7(9)5-11-6(2)4-8;/h6H,3-5,8H2,1-2H3;1H/t6-;/m0./s1
InChIKeyOGTZLTXCAAKHNT-RGMNGODLSA-N
MW197.66 g/mol
LogP0.34
Rot. Bonds5

About ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride

ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride (PubChem CID 86621907) has the molecular formula C7H16ClNO3 and a molecular weight of 197.66 g/mol. Its IUPAC name is ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride
PubChem CID86621907
Molecular FormulaC7H16ClNO3
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Nameethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride
SMILESCCOC(=O)CO[C@@H](C)CN.Cl
InChIInChI=1S/C7H15NO3.ClH/c1-3-10-7(9)5-11-6(2)4-8;/h6H,3-5,8H2,1-2H3;1H/t6-;/m0./s1
InChIKeyOGTZLTXCAAKHNT-RGMNGODLSA-N
XLogP0.34
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride 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

ethyl 2-propan-2-yloxyacetate
CID 537908
ethyl 2-[1-(methylamino)propan-2-yloxy]acetate
CID 106939526
ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate
CID 123274315
ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate
CID 87219615
ethyl 5-butan-2-yloxy-4-oxopentanoate
CID 103484916
ethyl 2-(1-hydroxy-3-oxobutoxy)acetate
CID 88524718
ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673
ethyl 2-aminoacetate
CID 45039361
2-(1-aminopropan-2-yloxy)-1-morpholin-4-ylethanone
CID 82352680
formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate
CID 118371135
ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
CID 91709862
CID 172843337
CID 172843337

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride?
The IUPAC name of ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride (CID 86621907) is ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride.
What is the SMILES notation for ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride?
The canonical SMILES for ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride is CCOC(=O)CO[C@@H](C)CN.Cl.
What is the InChIKey of ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride?
The InChIKey is OGTZLTXCAAKHNT-RGMNGODLSA-N. The full InChI is InChI=1S/C7H15NO3.ClH/c1-3-10-7(9)5-11-6(2)4-8;/h6H,3-5,8H2,1-2H3;1H/t6-;/m0./s1.
What are the key properties of ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride?
ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride is sourced from PubChem (CID 86621907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).