2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid

C17H17NO3 — CID 155232262

IUPAC2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid
SMILESCc1ccccc1CN(C=O)C(C(=O)O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-13-7-5-6-10-15(13)11-18(12-19)16(17(20)21)14-8-3-2-4-9-14/h2-10,12,16H,11H2,1H3,(H,20,21)
InChIKeyFXTVEFQCRLBAHJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.78
Rot. Bonds6

About 2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid

2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid (PubChem CID 155232262) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid
PubChem CID155232262
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid
SMILESCc1ccccc1CN(C=O)C(C(=O)O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-13-7-5-6-10-15(13)11-18(12-19)16(17(20)21)14-8-3-2-4-9-14/h2-10,12,16H,11H2,1H3,(H,20,21)
InChIKeyFXTVEFQCRLBAHJ-UHFFFAOYSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid (CID 155232262) is 2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid is Cc1ccccc1CN(C=O)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid?
The InChIKey is FXTVEFQCRLBAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13-7-5-6-10-15(13)11-18(12-19)16(17(20)21)14-8-3-2-4-9-14/h2-10,12,16H,11H2,1H3,(H,20,21).
What are the key properties of 2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid?
2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid has a molecular weight of 283.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[(2-methylphenyl)methyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 155232262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).