5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid

C20H26N2O5 — CID 123885715

IUPAC5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid
SMILESCCOC(=O)C(CCNC(=O)CCCC(=O)O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H26N2O5/c1-2-27-20(26)14(10-11-21-18(23)8-5-9-19(24)25)12-15-13-22-17-7-4-3-6-16(15)17/h3-4,6-7,13-14,22H,2,5,8-12H2,1H3,(H,21,23)(H,24,25)
InChIKeyAGZLJTJKNCBLCZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.65
Rot. Bonds11

About 5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid

5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid (PubChem CID 123885715) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid
PubChem CID123885715
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid
SMILESCCOC(=O)C(CCNC(=O)CCCC(=O)O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H26N2O5/c1-2-27-20(26)14(10-11-21-18(23)8-5-9-19(24)25)12-15-13-22-17-7-4-3-6-16(15)17/h3-4,6-7,13-14,22H,2,5,8-12H2,1H3,(H,21,23)(H,24,25)
InChIKeyAGZLJTJKNCBLCZ-UHFFFAOYSA-N
XLogP2.65
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

2-amino-3-(1H-indol-3-yl)propanoic acid;octanoic acid
CID 66739290
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
5-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 166842954
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
3-(1H-indol-3-yl)-N-pentylpropanamide;3-(1H-indol-3-yl)propanoic acid;pentan-1-amine
CID 159813673
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
[2-[[(2S)-1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium
CID 57007606
4-amino-5-(1H-indol-3-yl)pentanoic acid
CID 53414125
2-[[(2S)-2-[[(2S)-2-(hexadecanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid
CID 122376498

Frequently Asked Questions

What is the IUPAC name of 5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid (CID 123885715) is 5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid is CCOC(=O)C(CCNC(=O)CCCC(=O)O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid?
The InChIKey is AGZLJTJKNCBLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-2-27-20(26)14(10-11-21-18(23)8-5-9-19(24)25)12-15-13-22-17-7-4-3-6-16(15)17/h3-4,6-7,13-14,22H,2,5,8-12H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid?
5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid has a molecular weight of 374.44 g/mol, XLogP of 2.65, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 123885715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).