(2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid

C16H17NO5 — CID 170211559

IUPAC(2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid
SMILESCC[C@H](NC(=O)c1ccc(-c2ccccc2OC)o1)C(=O)O
InChIInChI=1S/C16H17NO5/c1-3-11(16(19)20)17-15(18)14-9-8-13(22-14)10-6-4-5-7-12(10)21-2/h4-9,11H,3H2,1-2H3,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyOZGWVTJKTIMJJW-NSHDSACASA-N
MW303.31 g/mol
LogP2.55
Rot. Bonds6

About (2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid

(2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid (PubChem CID 170211559) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is (2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid
PubChem CID170211559
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name(2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid
SMILESCC[C@H](NC(=O)c1ccc(-c2ccccc2OC)o1)C(=O)O
InChIInChI=1S/C16H17NO5/c1-3-11(16(19)20)17-15(18)14-9-8-13(22-14)10-6-4-5-7-12(10)21-2/h4-9,11H,3H2,1-2H3,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyOZGWVTJKTIMJJW-NSHDSACASA-N
XLogP2.55
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanedioic acid
CID 169205452
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
CID 119223716
(2S)-2-[(5-phenylfuran-2-carbonyl)amino]butanedioic acid
CID 169205444
(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 167810272
2-[(2-methoxybenzoyl)amino]butanoic acid;5-oxabicyclo[2.1.1]hexane
CID 70081633
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
(2S)-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]-3-[4-(2-methoxyphenyl)phenyl]propanoic acid
CID 70651836
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
(2S)-2-[[5-[4-(3-methylsulfonylpropoxy)phenyl]furan-2-carbonyl]amino]butanoic acid
CID 170211568
(2S)-2-[(5-fluoro-2-methoxybenzoyl)amino]butanoic acid
CID 129414819
2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]butanoic acid
CID 119223928
(2S)-2-[[5-(2-aminophenyl)furan-2-carbonyl]amino]-5-(diaminomethylamino)pentanoic acid
CID 69098326

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid?
The IUPAC name of (2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid (CID 170211559) is (2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid is CC[C@H](NC(=O)c1ccc(-c2ccccc2OC)o1)C(=O)O.
What is the InChIKey of (2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid?
The InChIKey is OZGWVTJKTIMJJW-NSHDSACASA-N. The full InChI is InChI=1S/C16H17NO5/c1-3-11(16(19)20)17-15(18)14-9-8-13(22-14)10-6-4-5-7-12(10)21-2/h4-9,11H,3H2,1-2H3,(H,17,18)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid?
(2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid has a molecular weight of 303.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 170211559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).