methyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate

C15H19N3O3 — CID 140870989

IUPACmethyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate
SMILES[2H]Cn1cc(C[C@H](N)C(=O)NCC(=O)OC)c2ccccc21
InChIInChI=1S/C15H19N3O3/c1-18-9-10(11-5-3-4-6-13(11)18)7-12(16)15(20)17-8-14(19)21-2/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,20)/t12-/m0/s1/i1D
InChIKeyRIZJPZSWBNNMOZ-JJSKNPOYSA-N
MW290.34 g/mol
LogP0.34
Rot. Bonds6

About methyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate

methyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate (PubChem CID 140870989) has the molecular formula C15H19N3O3 and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate
PubChem CID140870989
Molecular FormulaC15H19N3O3
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Namemethyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate
SMILES[2H]Cn1cc(C[C@H](N)C(=O)NCC(=O)OC)c2ccccc21
InChIInChI=1S/C15H19N3O3/c1-18-9-10(11-5-3-4-6-13(11)18)7-12(16)15(20)17-8-14(19)21-2/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,20)/t12-/m0/s1/i1D
InChIKeyRIZJPZSWBNNMOZ-JJSKNPOYSA-N
XLogP0.34
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate?
The IUPAC name of methyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate (CID 140870989) is methyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate is [2H]Cn1cc(C[C@H](N)C(=O)NCC(=O)OC)c2ccccc21.
What is the InChIKey of methyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate?
The InChIKey is RIZJPZSWBNNMOZ-JJSKNPOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-9-10(11-5-3-4-6-13(11)18)7-12(16)15(20)17-8-14(19)21-2/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,20)/t12-/m0/s1/i1D.
What are the key properties of methyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate?
methyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate has a molecular weight of 290.34 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-amino-3-[1-(deuteriomethyl)indol-3-yl]propanoyl]amino]acetate is sourced from PubChem (CID 140870989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).