(2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid

C19H16N2O3 — CID 21356512

IUPAC(2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc2ccccc2n1
InChIInChI=1S/C19H16N2O3/c22-18(16-11-10-14-8-4-5-9-15(14)20-16)21-17(19(23)24)12-13-6-2-1-3-7-13/h1-11,17H,12H2,(H,21,22)(H,23,24)/t17-/m0/s1
InChIKeyXRNFCQYNTUWLRV-KRWDZBQOSA-N
MW320.35 g/mol
LogP2.66
Rot. Bonds5

About (2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid

(2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid (PubChem CID 21356512) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid
PubChem CID21356512
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name(2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc2ccccc2n1
InChIInChI=1S/C19H16N2O3/c22-18(16-11-10-14-8-4-5-9-15(14)20-16)21-17(19(23)24)12-13-6-2-1-3-7-13/h1-11,17H,12H2,(H,21,22)(H,23,24)/t17-/m0/s1
InChIKeyXRNFCQYNTUWLRV-KRWDZBQOSA-N
XLogP2.66
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid (CID 21356512) is (2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid is O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc2ccccc2n1.
What is the InChIKey of (2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid?
The InChIKey is XRNFCQYNTUWLRV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-18(16-11-10-14-8-4-5-9-15(14)20-16)21-17(19(23)24)12-13-6-2-1-3-7-13/h1-11,17H,12H2,(H,21,22)(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid?
(2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid has a molecular weight of 320.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid is sourced from PubChem (CID 21356512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).