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

C6H13NO3 — CID 55285113

IUPACethyl (2S)-2-amino-3-methoxypropanoate
SMILESCCOC(=O)[C@@H](N)COC
InChIInChI=1S/C6H13NO3/c1-3-10-6(8)5(7)4-9-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1
InChIKeyVXWSCHZRGXBNCY-YFKPBYRVSA-N
MW147.17 g/mol
LogP-0.48
Rot. Bonds4

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

ethyl (2S)-2-amino-3-methoxypropanoate (PubChem CID 55285113) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-methoxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-methoxypropanoate
PubChem CID55285113
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nameethyl (2S)-2-amino-3-methoxypropanoate
SMILESCCOC(=O)[C@@H](N)COC
InChIInChI=1S/C6H13NO3/c1-3-10-6(8)5(7)4-9-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1
InChIKeyVXWSCHZRGXBNCY-YFKPBYRVSA-N
XLogP-0.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
ethyl (2S)-2-amino-3-propan-2-yloxypropanoate
CID 94053176
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
ethyl (2S)-2-amino-4-oxobutanoate
CID 174339605
ethyl 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]butanoate
CID 63053382
ethyl (2S)-2-amino-4-ethoxybutanoate
CID 22839428
ethyl 2-(methoxymethyl)pentanoate
CID 141084723
cyclohexane;diethyl 2-(methoxymethyl)propanedioate
CID 174682479
ethyl 2-amino-2-hydroxyacetate;hydrochloride
CID 88745536
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate
CID 106204429

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-methoxypropanoate?
The IUPAC name of ethyl (2S)-2-amino-3-methoxypropanoate (CID 55285113) is ethyl (2S)-2-amino-3-methoxypropanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3-methoxypropanoate?
The canonical SMILES for ethyl (2S)-2-amino-3-methoxypropanoate is CCOC(=O)[C@@H](N)COC.
What is the InChIKey of ethyl (2S)-2-amino-3-methoxypropanoate?
The InChIKey is VXWSCHZRGXBNCY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-10-6(8)5(7)4-9-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3-methoxypropanoate?
ethyl (2S)-2-amino-3-methoxypropanoate has a molecular weight of 147.17 g/mol, XLogP of -0.48, 4 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-methoxypropanoate is sourced from PubChem (CID 55285113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).