2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid

C15H12FNO3 — CID 99784106

IUPAC2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO3/c16-12-8-6-11(7-9-12)13(17-14(18)15(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyMXGFBVNOMPGCJZ-ZDUSSCGKSA-N
MW273.26 g/mol
LogP2.12
Rot. Bonds3

About 2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid

2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid (PubChem CID 99784106) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid
PubChem CID99784106
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO3/c16-12-8-6-11(7-9-12)13(17-14(18)15(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyMXGFBVNOMPGCJZ-ZDUSSCGKSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55583548
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide
CID 55594145
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
N-[(4-fluorophenyl)-phenylmethyl]-2-methoxyacetamide
CID 47161833
3-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55583655
2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
CID 42913580
N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 112816610
2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 119716453
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
N-[(S)-(4-fluorophenyl)-phenylmethyl]formamide
CID 11499592

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid (CID 99784106) is 2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid is O=C(O)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid?
The InChIKey is MXGFBVNOMPGCJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-12-8-6-11(7-9-12)13(17-14(18)15(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)(H,19,20)/t13-/m0/s1.
What are the key properties of 2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid?
2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid has a molecular weight of 273.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 99784106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).