(2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid

C15H16N2O4 — CID 166632216

IUPAC(2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid
SMILESCc1ccccc1-c1ccc(C(=O)NC[C@@H](N)C(=O)O)o1
InChIInChI=1S/C15H16N2O4/c1-9-4-2-3-5-10(9)12-6-7-13(21-12)14(18)17-8-11(16)15(19)20/h2-7,11H,8,16H2,1H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyLXFUTMOKRNGXDZ-LLVKDONJSA-N
MW288.30 g/mol
LogP1.40
Rot. Bonds5

About (2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid

(2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid (PubChem CID 166632216) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid
PubChem CID166632216
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid
SMILESCc1ccccc1-c1ccc(C(=O)NC[C@@H](N)C(=O)O)o1
InChIInChI=1S/C15H16N2O4/c1-9-4-2-3-5-10(9)12-6-7-13(21-12)14(18)17-8-11(16)15(19)20/h2-7,11H,8,16H2,1H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyLXFUTMOKRNGXDZ-LLVKDONJSA-N
XLogP1.40
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid (CID 166632216) is (2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid is Cc1ccccc1-c1ccc(C(=O)NC[C@@H](N)C(=O)O)o1.
What is the InChIKey of (2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid?
The InChIKey is LXFUTMOKRNGXDZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-4-2-3-5-10(9)12-6-7-13(21-12)14(18)17-8-11(16)15(19)20/h2-7,11H,8,16H2,1H3,(H,17,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid?
(2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[5-(2-methylphenyl)furan-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 166632216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).