2-ethylbutyl (2R)-2-amino-3-phenylpropanoate

C15H23NO2 — CID 114208438

IUPAC2-ethylbutyl (2R)-2-amino-3-phenylpropanoate
SMILESCCC(CC)COC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-12(4-2)11-18-15(17)14(16)10-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11,16H2,1-2H3/t14-/m1/s1
InChIKeyYNPKCMOMRFONIV-CQSZACIVSA-N
MW249.35 g/mol
LogP2.54
Rot. Bonds7

About 2-ethylbutyl (2R)-2-amino-3-phenylpropanoate

2-ethylbutyl (2R)-2-amino-3-phenylpropanoate (PubChem CID 114208438) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-ethylbutyl (2R)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name2-ethylbutyl (2R)-2-amino-3-phenylpropanoate
PubChem CID114208438
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-ethylbutyl (2R)-2-amino-3-phenylpropanoate
SMILESCCC(CC)COC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-12(4-2)11-18-15(17)14(16)10-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11,16H2,1-2H3/t14-/m1/s1
InChIKeyYNPKCMOMRFONIV-CQSZACIVSA-N
XLogP2.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylbutyl 2-amino-3-phenylpropanoate;phenol
CID 168915046
2-butylhexyl (2S)-2-amino-3-phenylpropanoate
CID 168741715
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
butyl (2S)-2-amino-3-phenylpropanoate
CID 11402655
deuteriomethyl (2S)-2-amino-3-phenylpropanoate
CID 56622485
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
ethyl 2-amino-3-phenylpropanoate;isocyanic acid
CID 175019136
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
3-[(2S)-2-amino-3-phenylpropanoyl]oxypropyl (2S)-2-amino-3-phenylpropanoate
CID 100951987
(2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid
CID 67608123

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl (2R)-2-amino-3-phenylpropanoate?
The IUPAC name of 2-ethylbutyl (2R)-2-amino-3-phenylpropanoate (CID 114208438) is 2-ethylbutyl (2R)-2-amino-3-phenylpropanoate.
What is the SMILES notation for 2-ethylbutyl (2R)-2-amino-3-phenylpropanoate?
The canonical SMILES for 2-ethylbutyl (2R)-2-amino-3-phenylpropanoate is CCC(CC)COC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of 2-ethylbutyl (2R)-2-amino-3-phenylpropanoate?
The InChIKey is YNPKCMOMRFONIV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-12(4-2)11-18-15(17)14(16)10-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11,16H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-ethylbutyl (2R)-2-amino-3-phenylpropanoate?
2-ethylbutyl (2R)-2-amino-3-phenylpropanoate has a molecular weight of 249.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl (2R)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 114208438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).