ethyl (2S)-2-aminopropanoate;molecular hydrogen

C5H13NO2 — CID 145195719

IUPACethyl (2S)-2-aminopropanoate;molecular hydrogen
SMILESCCOC(=O)[C@H](C)N.[H][H]
InChIInChI=1S/C5H11NO2.H2/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1
InChIKeyRKQUXEOSDWGLGH-WCCKRBBISA-N
MW119.16 g/mol
LogP0.14
Rot. Bonds2

About ethyl (2S)-2-aminopropanoate;molecular hydrogen

ethyl (2S)-2-aminopropanoate;molecular hydrogen (PubChem CID 145195719) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is ethyl (2S)-2-aminopropanoate;molecular hydrogen.

Molecular Properties

Compound Nameethyl (2S)-2-aminopropanoate;molecular hydrogen
PubChem CID145195719
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Nameethyl (2S)-2-aminopropanoate;molecular hydrogen
SMILESCCOC(=O)[C@H](C)N.[H][H]
InChIInChI=1S/C5H11NO2.H2/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1
InChIKeyRKQUXEOSDWGLGH-WCCKRBBISA-N
XLogP0.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
ethoxycarbonyl (2S)-2-aminopropanoate
CID 57068155
diethyl 2-methylpropanedioate;zirconium
CID 174876844
aminomethyl (2S)-2-aminopropanoate
CID 139681738
heptyl 2-aminopropanoate
CID 14657662
2-methylpentyl 2-aminopropanoate
CID 103284268
heptadecyl (2S)-2-aminopropanoate
CID 122384608
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium
CID 6932860
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl 2-amino-2-hydroxyacetate;hydrochloride
CID 88745536

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-aminopropanoate;molecular hydrogen?
The IUPAC name of ethyl (2S)-2-aminopropanoate;molecular hydrogen (CID 145195719) is ethyl (2S)-2-aminopropanoate;molecular hydrogen.
What is the SMILES notation for ethyl (2S)-2-aminopropanoate;molecular hydrogen?
The canonical SMILES for ethyl (2S)-2-aminopropanoate;molecular hydrogen is CCOC(=O)[C@H](C)N.[H][H].
What is the InChIKey of ethyl (2S)-2-aminopropanoate;molecular hydrogen?
The InChIKey is RKQUXEOSDWGLGH-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.H2/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1.
What are the key properties of ethyl (2S)-2-aminopropanoate;molecular hydrogen?
ethyl (2S)-2-aminopropanoate;molecular hydrogen has a molecular weight of 119.16 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-aminopropanoate;molecular hydrogen is sourced from PubChem (CID 145195719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).