2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid

C20H20N2O4 — CID 2735234

IUPAC2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
SMILESCC(=O)NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O
InChIInChI=1S/C20H20N2O4/c1-13(23)22-19(20(24)25)9-15-11-21-18-8-7-16(10-17(15)18)26-12-14-5-3-2-4-6-14/h2-8,10-11,19,21H,9,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyJOYGSMRGJUMINJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.88
Rot. Bonds7

About 2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid

2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid (PubChem CID 2735234) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
PubChem CID2735234
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
SMILESCC(=O)NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O
InChIInChI=1S/C20H20N2O4/c1-13(23)22-19(20(24)25)9-15-11-21-18-8-7-16(10-17(15)18)26-12-14-5-3-2-4-6-14/h2-8,10-11,19,21H,9,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyJOYGSMRGJUMINJ-UHFFFAOYSA-N
XLogP2.88
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(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
3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
CID 58677416
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid
CID 175217287
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
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
3-(2-nitropropyl)-5-phenylmethoxy-1H-indole
CID 14083171
2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid
CID 22309405
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid (CID 2735234) is 2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid is CC(=O)NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O.
What is the InChIKey of 2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid?
The InChIKey is JOYGSMRGJUMINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13(23)22-19(20(24)25)9-15-11-21-18-8-7-16(10-17(15)18)26-12-14-5-3-2-4-6-14/h2-8,10-11,19,21H,9,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid?
2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid has a molecular weight of 352.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 2735234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).