methyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate

C16H17NO3 — CID 45378434

IUPACmethyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1
InChIInChI=1S/C16H17NO3/c1-20-16(19)15(17-13-5-3-2-4-6-13)11-12-7-9-14(18)10-8-12/h2-10,15,17-18H,11H2,1H3/t15-/m0/s1
InChIKeyDVVCEOKXSCWFNO-HNNXBMFYSA-N
MW271.32 g/mol
LogP2.59
Rot. Bonds5

About methyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate

methyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate (PubChem CID 45378434) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate
PubChem CID45378434
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1
InChIInChI=1S/C16H17NO3/c1-20-16(19)15(17-13-5-3-2-4-6-13)11-12-7-9-14(18)10-8-12/h2-10,15,17-18H,11H2,1H3/t15-/m0/s1
InChIKeyDVVCEOKXSCWFNO-HNNXBMFYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of methyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate (CID 45378434) is methyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for methyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate is COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1.
What is the InChIKey of methyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate?
The InChIKey is DVVCEOKXSCWFNO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-16(19)15(17-13-5-3-2-4-6-13)11-12-7-9-14(18)10-8-12/h2-10,15,17-18H,11H2,1H3/t15-/m0/s1.
What are the key properties of methyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate?
methyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate has a molecular weight of 271.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-anilino-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 45378434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).