ethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate

C8H17NO4 — CID 91468988

IUPACethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate
SMILESCCOC(=O)CNC[C@H](O)COC
InChIInChI=1S/C8H17NO4/c1-3-13-8(11)5-9-4-7(10)6-12-2/h7,9-10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyGTAHZFJUWOBBQA-ZETCQYMHSA-N
MW191.23 g/mol
LogP-0.85
Rot. Bonds7

About ethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate

ethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate (PubChem CID 91468988) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate
PubChem CID91468988
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Nameethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate
SMILESCCOC(=O)CNC[C@H](O)COC
InChIInChI=1S/C8H17NO4/c1-3-13-8(11)5-9-4-7(10)6-12-2/h7,9-10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyGTAHZFJUWOBBQA-ZETCQYMHSA-N
XLogP-0.85
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate (CID 91468988) is ethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate is CCOC(=O)CNC[C@H](O)COC.
What is the InChIKey of ethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate?
The InChIKey is GTAHZFJUWOBBQA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO4/c1-3-13-8(11)5-9-4-7(10)6-12-2/h7,9-10H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate?
ethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate has a molecular weight of 191.23 g/mol, XLogP of -0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-hydroxy-3-methoxypropyl]amino]acetate is sourced from PubChem (CID 91468988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).