ethyl (2S)-2-amino-4-ethoxybutanoate

C8H17NO3 — CID 22839428

IUPACethyl (2S)-2-amino-4-ethoxybutanoate
SMILESCCOCC[C@H](N)C(=O)OCC
InChIInChI=1S/C8H17NO3/c1-3-11-6-5-7(9)8(10)12-4-2/h7H,3-6,9H2,1-2H3/t7-/m0/s1
InChIKeyNWDKQOVOEVOEMN-ZETCQYMHSA-N
MW175.23 g/mol
LogP0.30
Rot. Bonds6

About ethyl (2S)-2-amino-4-ethoxybutanoate

ethyl (2S)-2-amino-4-ethoxybutanoate (PubChem CID 22839428) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl (2S)-2-amino-4-ethoxybutanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-4-ethoxybutanoate
PubChem CID22839428
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl (2S)-2-amino-4-ethoxybutanoate
SMILESCCOCC[C@H](N)C(=O)OCC
InChIInChI=1S/C8H17NO3/c1-3-11-6-5-7(9)8(10)12-4-2/h7H,3-6,9H2,1-2H3/t7-/m0/s1
InChIKeyNWDKQOVOEVOEMN-ZETCQYMHSA-N
XLogP0.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 104563527
ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate
CID 63038922
ethyl 2-amino-4-(3-methoxy-3-methylbutoxy)butanoate
CID 106666825
diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate
CID 25178903
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
ethyl 2-amino-4-(2-phenoxyethoxy)butanoate
CID 63039473
ethyl (2S)-2-amino-4-cyanobutanoate;hydrochloride
CID 131858881
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
ethyl (2S)-2-amino-5-oxopentanoate
CID 87968678
ethyl (2R)-2-amino-5,5,5-trifluoropentanoate
CID 95378431
ethyl 2-amino-4-(4-methylphenoxy)butanoate
CID 63041349

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-4-ethoxybutanoate?
The IUPAC name of ethyl (2S)-2-amino-4-ethoxybutanoate (CID 22839428) is ethyl (2S)-2-amino-4-ethoxybutanoate.
What is the SMILES notation for ethyl (2S)-2-amino-4-ethoxybutanoate?
The canonical SMILES for ethyl (2S)-2-amino-4-ethoxybutanoate is CCOCC[C@H](N)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-amino-4-ethoxybutanoate?
The InChIKey is NWDKQOVOEVOEMN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-11-6-5-7(9)8(10)12-4-2/h7H,3-6,9H2,1-2H3/t7-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-4-ethoxybutanoate?
ethyl (2S)-2-amino-4-ethoxybutanoate has a molecular weight of 175.23 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-4-ethoxybutanoate is sourced from PubChem (CID 22839428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).