fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid

C11H12FmNO3- — CID 166481750

IUPACfermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid
SMILESCc1cccc(CC(N[C-]=O)C(=O)O)c1.[Fm]
InChIInChI=1S/C11H12NO3.Fm/c1-8-3-2-4-9(5-8)6-10(11(14)15)12-7-13;/h2-5,10H,6H2,1H3,(H,12,13)(H,14,15);/q-1;
InChIKeyTYHBOEOQGIVKIL-UHFFFAOYSA-N
MW463.22 g/mol
LogP0.65
Rot. Bonds5

About fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid

fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid (PubChem CID 166481750) has the molecular formula C11H12FmNO3- and a molecular weight of 463.22 g/mol. Its IUPAC name is fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid.

Molecular Properties

Compound Namefermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid
PubChem CID166481750
Molecular FormulaC11H12FmNO3-
Molecular Weight463.22 g/mol
Exact Mass463.18
IUPAC Namefermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid
SMILESCc1cccc(CC(N[C-]=O)C(=O)O)c1.[Fm]
InChIInChI=1S/C11H12NO3.Fm/c1-8-3-2-4-9(5-8)6-10(11(14)15)12-7-13;/h2-5,10H,6H2,1H3,(H,12,13)(H,14,15);/q-1;
InChIKeyTYHBOEOQGIVKIL-UHFFFAOYSA-N
XLogP0.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylphenyl)-2-(2-phosphonoethylamino)propanoic acid
CID 67255747
(2S)-2-(butoxycarbonylamino)-3-(3-methylphenyl)propanoic acid
CID 54537208
(2S)-3-(3-methylphenyl)-2-sulfanylpropanoic acid
CID 959252
fermium;2-(oxomethylamino)-4-phenylbutanoic acid
CID 166481870
(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid
CID 172529545
2-ethoxy-3-(3-methylphenyl)propanoic acid
CID 84722685
(2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium
CID 166490326
(2S)-3-[3-(3-methylphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154815442
(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
CID 46884012
2-(dimethylamino)-3-(3-methylphenyl)propanoic acid
CID 59981449
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
N-[(2S)-1-(3-methylphenyl)-3-oxobutan-2-yl]formamide
CID 174264624

Frequently Asked Questions

What is the IUPAC name of fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid?
The IUPAC name of fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid (CID 166481750) is fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid.
What is the SMILES notation for fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid?
The canonical SMILES for fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid is Cc1cccc(CC(N[C-]=O)C(=O)O)c1.[Fm].
What is the InChIKey of fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid?
The InChIKey is TYHBOEOQGIVKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO3.Fm/c1-8-3-2-4-9(5-8)6-10(11(14)15)12-7-13;/h2-5,10H,6H2,1H3,(H,12,13)(H,14,15);/q-1;.
What are the key properties of fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid?
fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid has a molecular weight of 463.22 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid is sourced from PubChem (CID 166481750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).