2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid

C19H17NO3 — CID 10881360

IUPAC2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid
SMILESO=C1CCc2ccccc2/C1=C/NC(C(=O)O)c1ccccc1
InChIInChI=1S/C19H17NO3/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-20-18(19(22)23)14-7-2-1-3-8-14/h1-9,12,18,20H,10-11H2,(H,22,23)/b16-12-
InChIKeyMUZVXAOLMCJRKP-VBKFSLOCSA-N
MW307.35 g/mol
LogP2.96
Rot. Bonds4

About 2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid

2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid (PubChem CID 10881360) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid
PubChem CID10881360
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid
SMILESO=C1CCc2ccccc2/C1=C/NC(C(=O)O)c1ccccc1
InChIInChI=1S/C19H17NO3/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-20-18(19(22)23)14-7-2-1-3-8-14/h1-9,12,18,20H,10-11H2,(H,22,23)/b16-12-
InChIKeyMUZVXAOLMCJRKP-VBKFSLOCSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid (CID 10881360) is 2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid is O=C1CCc2ccccc2/C1=C/NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid?
The InChIKey is MUZVXAOLMCJRKP-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H17NO3/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-20-18(19(22)23)14-7-2-1-3-8-14/h1-9,12,18,20H,10-11H2,(H,22,23)/b16-12-.
What are the key properties of 2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid?
2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid has a molecular weight of 307.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 10881360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).