ethyl 2-amino-3-ethoxybutanoate

C8H17NO3 — CID 163483403

IUPACethyl 2-amino-3-ethoxybutanoate
SMILESCCOC(=O)C(N)C(C)OCC
InChIInChI=1S/C8H17NO3/c1-4-11-6(3)7(9)8(10)12-5-2/h6-7H,4-5,9H2,1-3H3
InChIKeyCGMMDZQXEDWXQC-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.30
Rot. Bonds5

About ethyl 2-amino-3-ethoxybutanoate

ethyl 2-amino-3-ethoxybutanoate (PubChem CID 163483403) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl 2-amino-3-ethoxybutanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-ethoxybutanoate
PubChem CID163483403
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl 2-amino-3-ethoxybutanoate
SMILESCCOC(=O)C(N)C(C)OCC
InChIInChI=1S/C8H17NO3/c1-4-11-6(3)7(9)8(10)12-5-2/h6-7H,4-5,9H2,1-3H3
InChIKeyCGMMDZQXEDWXQC-UHFFFAOYSA-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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Related Compounds

(2S)-2-amino-3-ethoxybutanoic acid
CID 22301551
ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
ethyl 2-amino-3-hydroxy-4-methylheptanoate
CID 66206751
ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
CID 91928398
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
ethyl 2-methylhexanoate
CID 12714009
ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate
CID 134571182
(2S)-3-ethoxybutan-2-amine
CID 64712582
ethyl (2S,3S)-2-amino-3-hydroxy-15-methylhexadecanoate
CID 124639855
ethyl (2S)-2-aminopropanoate;molecular hydrogen
CID 145195719
ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate
CID 102538605
ethyl 2-amino-4-fluoro-3-hydroxybutanoate
CID 71346341

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-ethoxybutanoate?
The IUPAC name of ethyl 2-amino-3-ethoxybutanoate (CID 163483403) is ethyl 2-amino-3-ethoxybutanoate.
What is the SMILES notation for ethyl 2-amino-3-ethoxybutanoate?
The canonical SMILES for ethyl 2-amino-3-ethoxybutanoate is CCOC(=O)C(N)C(C)OCC.
What is the InChIKey of ethyl 2-amino-3-ethoxybutanoate?
The InChIKey is CGMMDZQXEDWXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-11-6(3)7(9)8(10)12-5-2/h6-7H,4-5,9H2,1-3H3.
What are the key properties of ethyl 2-amino-3-ethoxybutanoate?
ethyl 2-amino-3-ethoxybutanoate 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 2-amino-3-ethoxybutanoate is sourced from PubChem (CID 163483403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).