ethyl (2S)-2-amino-3-propan-2-yloxypropanoate

C8H17NO3 — CID 94053176

IUPACethyl (2S)-2-amino-3-propan-2-yloxypropanoate
SMILESCCOC(=O)[C@@H](N)COC(C)C
InChIInChI=1S/C8H17NO3/c1-4-11-8(10)7(9)5-12-6(2)3/h6-7H,4-5,9H2,1-3H3/t7-/m0/s1
InChIKeyOQOXLWMOKWOXJM-ZETCQYMHSA-N
MW175.23 g/mol
LogP0.30
Rot. Bonds5

About ethyl (2S)-2-amino-3-propan-2-yloxypropanoate

ethyl (2S)-2-amino-3-propan-2-yloxypropanoate (PubChem CID 94053176) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-propan-2-yloxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-propan-2-yloxypropanoate
PubChem CID94053176
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl (2S)-2-amino-3-propan-2-yloxypropanoate
SMILESCCOC(=O)[C@@H](N)COC(C)C
InChIInChI=1S/C8H17NO3/c1-4-11-8(10)7(9)5-12-6(2)3/h6-7H,4-5,9H2,1-3H3/t7-/m0/s1
InChIKeyOQOXLWMOKWOXJM-ZETCQYMHSA-N
XLogP0.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-propan-2-yloxypropanoate?
The IUPAC name of ethyl (2S)-2-amino-3-propan-2-yloxypropanoate (CID 94053176) is ethyl (2S)-2-amino-3-propan-2-yloxypropanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3-propan-2-yloxypropanoate?
The canonical SMILES for ethyl (2S)-2-amino-3-propan-2-yloxypropanoate is CCOC(=O)[C@@H](N)COC(C)C.
What is the InChIKey of ethyl (2S)-2-amino-3-propan-2-yloxypropanoate?
The InChIKey is OQOXLWMOKWOXJM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-11-8(10)7(9)5-12-6(2)3/h6-7H,4-5,9H2,1-3H3/t7-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3-propan-2-yloxypropanoate?
ethyl (2S)-2-amino-3-propan-2-yloxypropanoate has a molecular weight of 175.23 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-propan-2-yloxypropanoate is sourced from PubChem (CID 94053176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).