5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid

C17H20N4O5 — CID 174952268

IUPAC5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid
SMILESNC(CC(=O)N1CCOCC1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C17H20N4O5/c18-12(9-15(22)21-3-5-26-6-4-21)16(23)19-11-1-2-13-10(7-11)8-14(20-13)17(24)25/h1-2,7-8,12,20H,3-6,9,18H2,(H,19,23)(H,24,25)
InChIKeyCROXXNPEBBZGDF-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.38
Rot. Bonds5

About 5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid

5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid (PubChem CID 174952268) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid
PubChem CID174952268
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid
SMILESNC(CC(=O)N1CCOCC1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C17H20N4O5/c18-12(9-15(22)21-3-5-26-6-4-21)16(23)19-11-1-2-13-10(7-11)8-14(20-13)17(24)25/h1-2,7-8,12,20H,3-6,9,18H2,(H,19,23)(H,24,25)
InChIKeyCROXXNPEBBZGDF-UHFFFAOYSA-N
XLogP0.38
TPSA137.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic 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

5-[[(2S)-2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutanoyl]amino]-1H-indole-2-carboxylic acid
CID 175191538
ethyl 5-[[4-(4-acetylpiperazin-1-yl)-2-amino-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
CID 175145443
5-[(2-amino-3-phenylpropanoyl)amino]-1H-indole-2-carboxylic acid
CID 174951191
5-[[(2S)-2-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-morpholin-4-yl-4-oxobutanoyl]amino]-1H-indole-2-carboxylic acid
CID 162717214
3-amino-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 64894969
(2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride
CID 119310412
5-[[2-[amino-(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]amino]-1H-indole-2-carboxylic acid
CID 175145508
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
tert-butyl 6-[[(2S)-2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutanoyl]amino]-1H-benzimidazole-2-carboxylate
CID 162717250
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027
N-[1-(1H-indol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 75605520
5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide
CID 55977270

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid (CID 174952268) is 5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid is NC(CC(=O)N1CCOCC1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1.
What is the InChIKey of 5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid?
The InChIKey is CROXXNPEBBZGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c18-12(9-15(22)21-3-5-26-6-4-21)16(23)19-11-1-2-13-10(7-11)8-14(20-13)17(24)25/h1-2,7-8,12,20H,3-6,9,18H2,(H,19,23)(H,24,25).
What are the key properties of 5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid?
5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 0.38, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-morpholin-4-yl-4-oxobutanoyl)amino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 174952268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).