(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid

C19H17NO4 — CID 97324644

IUPAC(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid
SMILESO=C(NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccoc1
InChIInChI=1S/C19H17NO4/c21-18(16-7-8-24-12-16)20-11-17(19(22)23)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,12,17H,10-11H2,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyNOXISGMEDBSNHV-QGZVFWFLSA-N
MW323.35 g/mol
LogP3.11
Rot. Bonds6

About (2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid

(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid (PubChem CID 97324644) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid
PubChem CID97324644
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid
SMILESO=C(NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccoc1
InChIInChI=1S/C19H17NO4/c21-18(16-7-8-24-12-16)20-11-17(19(22)23)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,12,17H,10-11H2,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyNOXISGMEDBSNHV-QGZVFWFLSA-N
XLogP3.11
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245404
2-(naphthalen-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)propanoic acid
CID 119245485
2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid
CID 119233505
(2R)-2-[[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 97234505
2-(naphthalen-2-ylmethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119245426
2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 122146595
2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245413
2-[[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 120527157
3-(furan-3-carbonylamino)-2-phenylpropanoic acid
CID 62883834
2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245465
2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 119245385
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of (2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid (CID 97324644) is (2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid is O=C(NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccoc1.
What is the InChIKey of (2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid?
The InChIKey is NOXISGMEDBSNHV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17NO4/c21-18(16-7-8-24-12-16)20-11-17(19(22)23)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,12,17H,10-11H2,(H,20,21)(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid?
(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid has a molecular weight of 323.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 97324644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).