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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[[(2S)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]pentanoate
CID 58756850
(2-methylpropan-2-yl)oxycarbonyl 2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]acetate
CID 126483127
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483105
propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400957
methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
CID 170891361
methyl (2R)-2-[[2-[[(2S)-2-amino-3-[1-[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]indol-3-yl]propanoyl]amino]acetyl]amino]-4-methylpentanoate
CID 42609896
(2S)-2-amino-4,4-dimethyl-1-(1-methylindol-3-yl)pentan-3-one;ethane;molecular hydrogen
CID 177060885
methyl 2-formyl-3-(1-methylindol-3-yl)propanoate
CID 123858693

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).