ethyl 2-amino-3-hydroxy-4-phenylpentanoate

C13H19NO3 — CID 66205533

IUPACethyl 2-amino-3-hydroxy-4-phenylpentanoate
SMILESCCOC(=O)C(N)C(O)C(C)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-17-13(16)11(14)12(15)9(2)10-7-5-4-6-8-10/h4-9,11-12,15H,3,14H2,1-2H3
InChIKeyKRKCUGUNTJQFQD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.04
Rot. Bonds5

About ethyl 2-amino-3-hydroxy-4-phenylpentanoate

ethyl 2-amino-3-hydroxy-4-phenylpentanoate (PubChem CID 66205533) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-amino-3-hydroxy-4-phenylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-hydroxy-4-phenylpentanoate
PubChem CID66205533
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-amino-3-hydroxy-4-phenylpentanoate
SMILESCCOC(=O)C(N)C(O)C(C)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-17-13(16)11(14)12(15)9(2)10-7-5-4-6-8-10/h4-9,11-12,15H,3,14H2,1-2H3
InChIKeyKRKCUGUNTJQFQD-UHFFFAOYSA-N
XLogP1.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818
ethyl 2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 12748096
ethyl 2-amino-3-chloro-3-phenylpropanoate
CID 14423202
ethyl (2R,3S)-2-fluoro-3-phenylbutanoate
CID 102075314
ethyl (2R)-2-amino-3-chloro-3-phenylpropanoate
CID 54155299
ethyl (2R,3R)-2-fluoro-3-phenylbutanoate
CID 102075316
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-hydroxy-4-phenylpentanoate?
The IUPAC name of ethyl 2-amino-3-hydroxy-4-phenylpentanoate (CID 66205533) is ethyl 2-amino-3-hydroxy-4-phenylpentanoate.
What is the SMILES notation for ethyl 2-amino-3-hydroxy-4-phenylpentanoate?
The canonical SMILES for ethyl 2-amino-3-hydroxy-4-phenylpentanoate is CCOC(=O)C(N)C(O)C(C)c1ccccc1.
What is the InChIKey of ethyl 2-amino-3-hydroxy-4-phenylpentanoate?
The InChIKey is KRKCUGUNTJQFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-17-13(16)11(14)12(15)9(2)10-7-5-4-6-8-10/h4-9,11-12,15H,3,14H2,1-2H3.
What are the key properties of ethyl 2-amino-3-hydroxy-4-phenylpentanoate?
ethyl 2-amino-3-hydroxy-4-phenylpentanoate has a molecular weight of 237.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-hydroxy-4-phenylpentanoate is sourced from PubChem (CID 66205533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).