2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid

C17H15NO5 — CID 146747104

IUPAC2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid
SMILESO=CNC(Cc1ccc(-c2ccccc2)cc1)(C(=O)O)C(=O)O
InChIInChI=1S/C17H15NO5/c19-11-18-17(15(20)21,16(22)23)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,18,19)(H,20,21)(H,22,23)
InChIKeyRMFJHYARGNYKGA-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.55
Rot. Bonds7

About 2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid

2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid (PubChem CID 146747104) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid.

Molecular Properties

Compound Name2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid
PubChem CID146747104
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid
SMILESO=CNC(Cc1ccc(-c2ccccc2)cc1)(C(=O)O)C(=O)O
InChIInChI=1S/C17H15NO5/c19-11-18-17(15(20)21,16(22)23)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,18,19)(H,20,21)(H,22,23)
InChIKeyRMFJHYARGNYKGA-UHFFFAOYSA-N
XLogP1.55
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(4-phenylphenyl)methyl]formamide
CID 54112237
(2R)-2-formamido-2-methyl-3-phenylpropanamide
CID 149178833
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
methyl 4-[4-[3-ethoxy-2-formamido-2-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]-3-oxopropyl]phenyl]benzoate
CID 102463057
N-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-1-phenylpropan-2-yl]formamide
CID 10490565
1,1'-biphenyl;oxaldehydic acid
CID 23024065
2-methyl-3-phenyl-2-(prop-2-enylamino)propanoic acid
CID 114988665
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
2-(4-phenylphenyl)acetyl chloride
CID 11264727
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567
2-[(4-phenylphenyl)methylsulfanyl]acetic acid
CID 22156882

Frequently Asked Questions

What is the IUPAC name of 2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid?
The IUPAC name of 2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid (CID 146747104) is 2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid.
What is the SMILES notation for 2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid?
The canonical SMILES for 2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid is O=CNC(Cc1ccc(-c2ccccc2)cc1)(C(=O)O)C(=O)O.
What is the InChIKey of 2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid?
The InChIKey is RMFJHYARGNYKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c19-11-18-17(15(20)21,16(22)23)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid?
2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid has a molecular weight of 313.31 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid is sourced from PubChem (CID 146747104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).