methyl 2-amino-3-(4-hydroxyphenyl)propanoate

C20H26N2O6 — CID 144819630

IUPACmethyl 2-amino-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(O)cc1.COC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/2C10H13NO3/c2*1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2*2-5,9,12H,6,11H2,1H3
InChIKeyPAIHADXRTHAEQC-UHFFFAOYSA-N
MW390.44 g/mol
LogP0.87
Rot. Bonds6

About methyl 2-amino-3-(4-hydroxyphenyl)propanoate

methyl 2-amino-3-(4-hydroxyphenyl)propanoate (PubChem CID 144819630) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 2-amino-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-hydroxyphenyl)propanoate
PubChem CID144819630
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Namemethyl 2-amino-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(O)cc1.COC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/2C10H13NO3/c2*1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2*2-5,9,12H,6,11H2,1H3
InChIKeyPAIHADXRTHAEQC-UHFFFAOYSA-N
XLogP0.87
TPSA145.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

methyl (2S)-2-(deuterioamino)-3-(4-hydroxyphenyl)propanoate
CID 162457084
acetyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 22287971
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
dimethyl 2-[(4-hydroxyphenyl)methyl]propanedioate
CID 54350942
methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
CID 54768230
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl 2-[(4-hydroxyphenyl)methyl]-3-oxobutanoate
CID 54108522
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 56980612
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of methyl 2-amino-3-(4-hydroxyphenyl)propanoate (CID 144819630) is methyl 2-amino-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(4-hydroxyphenyl)propanoate is COC(=O)C(N)Cc1ccc(O)cc1.COC(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of methyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The InChIKey is PAIHADXRTHAEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13NO3/c2*1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2*2-5,9,12H,6,11H2,1H3.
What are the key properties of methyl 2-amino-3-(4-hydroxyphenyl)propanoate?
methyl 2-amino-3-(4-hydroxyphenyl)propanoate has a molecular weight of 390.44 g/mol, XLogP of 0.87, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 144819630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).