ethyl (2S)-2-amino-3-hydroxypropanoate

C5H11NO3 — CID 2724186

IUPACethyl (2S)-2-amino-3-hydroxypropanoate
SMILESCCOC(=O)[C@@H](N)CO
InChIInChI=1S/C5H11NO3/c1-2-9-5(8)4(6)3-7/h4,7H,2-3,6H2,1H3/t4-/m0/s1
InChIKeyGKCXXDSWWDWUHS-BYPYZUCNSA-N
MW133.15 g/mol
LogP-1.13
Rot. Bonds3

About ethyl (2S)-2-amino-3-hydroxypropanoate

ethyl (2S)-2-amino-3-hydroxypropanoate (PubChem CID 2724186) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-hydroxypropanoate
PubChem CID2724186
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Nameethyl (2S)-2-amino-3-hydroxypropanoate
SMILESCCOC(=O)[C@@H](N)CO
InChIInChI=1S/C5H11NO3/c1-2-9-5(8)4(6)3-7/h4,7H,2-3,6H2,1H3/t4-/m0/s1
InChIKeyGKCXXDSWWDWUHS-BYPYZUCNSA-N
XLogP-1.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-hydroxypropanoate?
The IUPAC name of ethyl (2S)-2-amino-3-hydroxypropanoate (CID 2724186) is ethyl (2S)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3-hydroxypropanoate?
The canonical SMILES for ethyl (2S)-2-amino-3-hydroxypropanoate is CCOC(=O)[C@@H](N)CO.
What is the InChIKey of ethyl (2S)-2-amino-3-hydroxypropanoate?
The InChIKey is GKCXXDSWWDWUHS-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO3/c1-2-9-5(8)4(6)3-7/h4,7H,2-3,6H2,1H3/t4-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3-hydroxypropanoate?
ethyl (2S)-2-amino-3-hydroxypropanoate has a molecular weight of 133.15 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 2724186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).