2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid

C15H17NO5 — CID 170879752

IUPAC2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid
SMILESCOc1ccc(OCc2ccc(CC(N)C(=O)O)o2)cc1
InChIInChI=1S/C15H17NO5/c1-19-10-2-4-11(5-3-10)20-9-13-7-6-12(21-13)8-14(16)15(17)18/h2-7,14H,8-9,16H2,1H3,(H,17,18)
InChIKeySOXGTNZCEKSLLF-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.82
Rot. Bonds7

About 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid

2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid (PubChem CID 170879752) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid
PubChem CID170879752
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid
SMILESCOc1ccc(OCc2ccc(CC(N)C(=O)O)o2)cc1
InChIInChI=1S/C15H17NO5/c1-19-10-2-4-11(5-3-10)20-9-13-7-6-12(21-13)8-14(16)15(17)18/h2-7,14H,8-9,16H2,1H3,(H,17,18)
InChIKeySOXGTNZCEKSLLF-UHFFFAOYSA-N
XLogP1.82
TPSA94.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate
CID 170883905
ethyl 2-amino-3-[5-[(4-bromophenoxy)methyl]furan-2-yl]propanoate
CID 170885387
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(2S)-2-amino-3-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanoic acid
CID 162650291
(2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid
CID 129366758
ethyl 2-amino-3-[5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl]propanoate
CID 170885412
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893069
(2S,4S)-2,4-diamino-4-(4-methoxyphenyl)butanoic acid
CID 129462911
(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 10867909
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
2-amino-4-[(4-methoxyphenyl)methyl]pentanedioic acid
CID 53396139

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid?
The IUPAC name of 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid (CID 170879752) is 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid is COc1ccc(OCc2ccc(CC(N)C(=O)O)o2)cc1.
What is the InChIKey of 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid?
The InChIKey is SOXGTNZCEKSLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-19-10-2-4-11(5-3-10)20-9-13-7-6-12(21-13)8-14(16)15(17)18/h2-7,14H,8-9,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid?
2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid has a molecular weight of 291.30 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid is sourced from PubChem (CID 170879752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).