fermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

C9H16FmNO4- — CID 166481882

IUPACfermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCN([C-]=O)C(COC(C)(C)C)C(=O)O.[Fm]
InChIInChI=1S/C9H16NO4.Fm/c1-9(2,3)14-5-7(8(12)13)10(4)6-11;/h7H,5H2,1-4H3,(H,12,13);/q-1;
InChIKeyVYNBUAAWOWSUJO-UHFFFAOYSA-N
MW459.23 g/mol
LogP0.25
Rot. Bonds5

About fermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

fermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid (PubChem CID 166481882) has the molecular formula C9H16FmNO4- and a molecular weight of 459.23 g/mol. Its IUPAC name is fermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid.

Molecular Properties

Compound Namefermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
PubChem CID166481882
Molecular FormulaC9H16FmNO4-
Molecular Weight459.23 g/mol
Exact Mass459.20
IUPAC Namefermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCN([C-]=O)C(COC(C)(C)C)C(=O)O.[Fm]
InChIInChI=1S/C9H16NO4.Fm/c1-9(2,3)14-5-7(8(12)13)10(4)6-11;/h7H,5H2,1-4H3,(H,12,13);/q-1;
InChIKeyVYNBUAAWOWSUJO-UHFFFAOYSA-N
XLogP0.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 166490318
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid;chloromethane
CID 160898573
(2S)-2-[[(2R)-2-amino-3-sulfopropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 118524266
N-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine
CID 144724391
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 23363391
2-(dimethylamino)-4-methoxy-4-methylpentanoic acid
CID 106676156
fermium;3-methyl-2-[methyl(oxomethyl)amino]butanoic acid
CID 166481876
(2R)-4-hydroxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 124709937
3-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 85357237
(2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 14059342
2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 175532649
1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate
CID 150313177

Frequently Asked Questions

What is the IUPAC name of fermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The IUPAC name of fermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid (CID 166481882) is fermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid.
What is the SMILES notation for fermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The canonical SMILES for fermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid is CN([C-]=O)C(COC(C)(C)C)C(=O)O.[Fm].
What is the InChIKey of fermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The InChIKey is VYNBUAAWOWSUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO4.Fm/c1-9(2,3)14-5-7(8(12)13)10(4)6-11;/h7H,5H2,1-4H3,(H,12,13);/q-1;.
What are the key properties of fermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
fermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid has a molecular weight of 459.23 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;2-[methyl(oxomethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid is sourced from PubChem (CID 166481882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).