(2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid

C18H16N2O4 — CID 166632072

IUPAC(2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid
SMILESN[C@H](CNC(=O)c1ccc(-c2cccc3ccccc23)o1)C(=O)O
InChIInChI=1S/C18H16N2O4/c19-14(18(22)23)10-20-17(21)16-9-8-15(24-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14H,10,19H2,(H,20,21)(H,22,23)/t14-/m1/s1
InChIKeyYLWMRBOWTQMGIW-CQSZACIVSA-N
MW324.34 g/mol
LogP2.24
Rot. Bonds5

About (2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid

(2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid (PubChem CID 166632072) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid
PubChem CID166632072
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid
SMILESN[C@H](CNC(=O)c1ccc(-c2cccc3ccccc23)o1)C(=O)O
InChIInChI=1S/C18H16N2O4/c19-14(18(22)23)10-20-17(21)16-9-8-15(24-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14H,10,19H2,(H,20,21)(H,22,23)/t14-/m1/s1
InChIKeyYLWMRBOWTQMGIW-CQSZACIVSA-N
XLogP2.24
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.24
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-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid (CID 166632072) is (2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid is N[C@H](CNC(=O)c1ccc(-c2cccc3ccccc23)o1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid?
The InChIKey is YLWMRBOWTQMGIW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H16N2O4/c19-14(18(22)23)10-20-17(21)16-9-8-15(24-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14H,10,19H2,(H,20,21)(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid?
(2R)-2-amino-3-[(5-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid has a molecular weight of 324.34 g/mol, XLogP of 2.24, 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-naphthalen-1-ylfuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 166632072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).