fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid

C13H13FmN2O3- — CID 168915547

IUPACfermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid
SMILESCn1cc(C[C@H](N[C-]=O)C(=O)O)c2ccccc21.[Fm]
InChIInChI=1S/C13H13N2O3.Fm/c1-15-7-9(6-11(13(17)18)14-8-16)10-4-2-3-5-12(10)15;/h2-5,7,11H,6H2,1H3,(H,14,16)(H,17,18);/q-1;/t11-;/m0./s1
InChIKeyCZDXGIZIJWVUKX-MERQFXBCSA-N
MW502.26 g/mol
LogP0.83
Rot. Bonds5

About fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid

fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid (PubChem CID 168915547) has the molecular formula C13H13FmN2O3- and a molecular weight of 502.26 g/mol. Its IUPAC name is fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid.

Molecular Properties

Compound Namefermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid
PubChem CID168915547
Molecular FormulaC13H13FmN2O3-
Molecular Weight502.26 g/mol
Exact Mass502.19
IUPAC Namefermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid
SMILESCn1cc(C[C@H](N[C-]=O)C(=O)O)c2ccccc21.[Fm]
InChIInChI=1S/C13H13N2O3.Fm/c1-15-7-9(6-11(13(17)18)14-8-16)10-4-2-3-5-12(10)15;/h2-5,7,11H,6H2,1H3,(H,14,16)(H,17,18);/q-1;/t11-;/m0./s1
InChIKeyCZDXGIZIJWVUKX-MERQFXBCSA-N
XLogP0.83
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
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

(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009
(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
(2R)-2-(ethoxycarbonylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 126483278
(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483105
(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483330
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid
CID 126482760
(2R)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483037
2-[(1-methylindol-3-yl)methylamino]pentanoic acid
CID 65054985
(2R)-2-[[(2S)-5-amino-2-(chloroamino)-5-oxopentanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid
CID 126498928
3-(1-methylindol-3-yl)-2-[[(2R)-3-(1-methylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 166669213

Frequently Asked Questions

What is the IUPAC name of fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid?
The IUPAC name of fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid (CID 168915547) is fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid.
What is the SMILES notation for fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid?
The canonical SMILES for fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid is Cn1cc(C[C@H](N[C-]=O)C(=O)O)c2ccccc21.[Fm].
What is the InChIKey of fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid?
The InChIKey is CZDXGIZIJWVUKX-MERQFXBCSA-N. The full InChI is InChI=1S/C13H13N2O3.Fm/c1-15-7-9(6-11(13(17)18)14-8-16)10-4-2-3-5-12(10)15;/h2-5,7,11H,6H2,1H3,(H,14,16)(H,17,18);/q-1;/t11-;/m0./s1.
What are the key properties of fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid?
fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid has a molecular weight of 502.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid is sourced from PubChem (CID 168915547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).