3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid

C24H30N2O5Si — CID 175217287

IUPAC3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid
SMILESC[Si](C)(C)CCOC(=O)NC(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O
InChIInChI=1S/C24H30N2O5Si/c1-32(2,3)12-11-30-24(29)26-22(23(27)28)13-18-15-25-21-14-19(9-10-20(18)21)31-16-17-7-5-4-6-8-17/h4-10,14-15,22,25H,11-13,16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyXXKXQYDMKMIOAR-UHFFFAOYSA-N
MW454.60 g/mol
LogP4.81
Rot. Bonds10

About 3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid

3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid (PubChem CID 175217287) has the molecular formula C24H30N2O5Si and a molecular weight of 454.60 g/mol. Its IUPAC name is 3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid
PubChem CID175217287
Molecular FormulaC24H30N2O5Si
Molecular Weight454.60 g/mol
Exact Mass454.19
IUPAC Name3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid
SMILESC[Si](C)(C)CCOC(=O)NC(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O
InChIInChI=1S/C24H30N2O5Si/c1-32(2,3)12-11-30-24(29)26-22(23(27)28)13-18-15-25-21-14-19(9-10-20(18)21)31-16-17-7-5-4-6-8-17/h4-10,14-15,22,25H,11-13,16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyXXKXQYDMKMIOAR-UHFFFAOYSA-N
XLogP4.81
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid 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

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 22309446
2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 2735234
3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309421
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 94021235
methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
CID 94003873
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 98071988
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 22309445
benzyl 2-[[(2R)-2-(phenylmethoxycarbonylamino)-3-(5-phenylmethoxy-1H-indol-3-yl)propanoyl]amino]acetate
CID 7072534
(2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54530999
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 14160293
benzyl N-[3-(1H-indol-3-yl)-1-[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethylamino]-1-oxopropan-2-yl]carbamate
CID 67400051
4-[[3-[(2S)-2-amino-2-carboxyethyl]-1H-indol-6-yl]oxymethyl]benzoic acid
CID 141111663

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid?
The IUPAC name of 3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid (CID 175217287) is 3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid is C[Si](C)(C)CCOC(=O)NC(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O.
What is the InChIKey of 3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid?
The InChIKey is XXKXQYDMKMIOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5Si/c1-32(2,3)12-11-30-24(29)26-22(23(27)28)13-18-15-25-21-14-19(9-10-20(18)21)31-16-17-7-5-4-6-8-17/h4-10,14-15,22,25H,11-13,16H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid?
3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid has a molecular weight of 454.60 g/mol, XLogP of 4.81, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 175217287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).