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

C21H20N2O5 — CID 166629245

IUPAC(2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid
SMILESN[C@H](CNC(=O)c1ccc(-c2ccccc2OCc2ccccc2)o1)C(=O)O
InChIInChI=1S/C21H20N2O5/c22-16(21(25)26)12-23-20(24)19-11-10-18(28-19)15-8-4-5-9-17(15)27-13-14-6-2-1-3-7-14/h1-11,16H,12-13,22H2,(H,23,24)(H,25,26)/t16-/m1/s1
InChIKeyYPSRDGCZKUNOFY-MRXNPFEDSA-N
MW380.40 g/mol
LogP2.67
Rot. Bonds8

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

(2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid (PubChem CID 166629245) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is (2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid
PubChem CID166629245
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name(2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid
SMILESN[C@H](CNC(=O)c1ccc(-c2ccccc2OCc2ccccc2)o1)C(=O)O
InChIInChI=1S/C21H20N2O5/c22-16(21(25)26)12-23-20(24)19-11-10-18(28-19)15-8-4-5-9-17(15)27-13-14-6-2-1-3-7-14/h1-11,16H,12-13,22H2,(H,23,24)(H,25,26)/t16-/m1/s1
InChIKeyYPSRDGCZKUNOFY-MRXNPFEDSA-N
XLogP2.67
TPSA114.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid (CID 166629245) is (2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid is N[C@H](CNC(=O)c1ccc(-c2ccccc2OCc2ccccc2)o1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid?
The InChIKey is YPSRDGCZKUNOFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20N2O5/c22-16(21(25)26)12-23-20(24)19-11-10-18(28-19)15-8-4-5-9-17(15)27-13-14-6-2-1-3-7-14/h1-11,16H,12-13,22H2,(H,23,24)(H,25,26)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid?
(2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid has a molecular weight of 380.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 166629245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).