furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

C13H13NO4 — CID 90119639

IUPACfuran-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)Oc1ccco1
InChIInChI=1S/C13H13NO4/c14-11(8-9-3-5-10(15)6-4-9)13(16)18-12-2-1-7-17-12/h1-7,11,15H,8,14H2/t11-/m0/s1
InChIKeySGPXKNRTAOMFNA-NSHDSACASA-N
MW247.25 g/mol
LogP1.46
Rot. Bonds4

About furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate (PubChem CID 90119639) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namefuran-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
PubChem CID90119639
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namefuran-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)Oc1ccco1
InChIInChI=1S/C13H13NO4/c14-11(8-9-3-5-10(15)6-4-9)13(16)18-12-2-1-7-17-12/h1-7,11,15H,8,14H2/t11-/m0/s1
InChIKeySGPXKNRTAOMFNA-NSHDSACASA-N
XLogP1.46
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 56980612
2-amino-3-[4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxyphenyl]propanoic acid
CID 70292963
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
carbamoyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 54129194
acetyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 22287971
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 87854570
[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl] 2-methylpropanoate
CID 57233650
[deuterio(fluoro)methyl] (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 87058877

Frequently Asked Questions

What is the IUPAC name of furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate (CID 90119639) is furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate is N[C@@H](Cc1ccc(O)cc1)C(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
The InChIKey is SGPXKNRTAOMFNA-NSHDSACASA-N. The full InChI is InChI=1S/C13H13NO4/c14-11(8-9-3-5-10(15)6-4-9)13(16)18-12-2-1-7-17-12/h1-7,11,15H,8,14H2/t11-/m0/s1.
What are the key properties of furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate has a molecular weight of 247.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 90119639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).