(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid

C17H19NO5 — CID 119244528

IUPAC(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
SMILESCc1ccc(OCc2ccc(C(=O)N[C@H](C)C(=O)O)o2)c(C)c1
InChIInChI=1S/C17H19NO5/c1-10-4-6-14(11(2)8-10)22-9-13-5-7-15(23-13)16(19)18-12(3)17(20)21/h4-8,12H,9H2,1-3H3,(H,18,19)(H,20,21)/t12-/m1/s1
InChIKeyYBVTYMQSNJUVPI-GFCCVEGCSA-N
MW317.34 g/mol
LogP2.68
Rot. Bonds6

About (2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid

(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid (PubChem CID 119244528) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is (2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
PubChem CID119244528
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
SMILESCc1ccc(OCc2ccc(C(=O)N[C@H](C)C(=O)O)o2)c(C)c1
InChIInChI=1S/C17H19NO5/c1-10-4-6-14(11(2)8-10)22-9-13-5-7-15(23-13)16(19)18-12(3)17(20)21/h4-8,12H,9H2,1-3H3,(H,18,19)(H,20,21)/t12-/m1/s1
InChIKeyYBVTYMQSNJUVPI-GFCCVEGCSA-N
XLogP2.68
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 47069838
2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanediamide
CID 56798552
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
CID 110902991
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 55997594
N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452717
5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55996476
4-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230206
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 110280110
5-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)furan-2-carboxamide
CID 47070392
5-[(2,4-dimethylphenoxy)methyl]-N-(5-fluoro-2-pyridinyl)furan-2-carboxamide
CID 52886151
5-[(2,4-dimethylphenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60566843
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119458931

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid (CID 119244528) is (2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid is Cc1ccc(OCc2ccc(C(=O)N[C@H](C)C(=O)O)o2)c(C)c1.
What is the InChIKey of (2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid?
The InChIKey is YBVTYMQSNJUVPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19NO5/c1-10-4-6-14(11(2)8-10)22-9-13-5-7-15(23-13)16(19)18-12(3)17(20)21/h4-8,12H,9H2,1-3H3,(H,18,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid?
(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid has a molecular weight of 317.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119244528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).