ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid

C18H24N2O4 — CID 143041569

IUPACethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid
SMILESCC.CC(=O)C(CCC(=O)O)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O4.C2H6/c1-10(19)13(6-7-16(21)22)18-15(20)8-11-9-17-14-5-3-2-4-12(11)14;1-2/h2-5,9,13,17H,6-8H2,1H3,(H,18,20)(H,21,22);1-2H3
InChIKeyIVWQKWDZDAYEMV-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.68
Rot. Bonds7

About ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid

ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid (PubChem CID 143041569) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid.

Molecular Properties

Compound Nameethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid
PubChem CID143041569
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid
SMILESCC.CC(=O)C(CCC(=O)O)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O4.C2H6/c1-10(19)13(6-7-16(21)22)18-15(20)8-11-9-17-14-5-3-2-4-12(11)14;1-2/h2-5,9,13,17H,6-8H2,1H3,(H,18,20)(H,21,22);1-2H3
InChIKeyIVWQKWDZDAYEMV-UHFFFAOYSA-N
XLogP2.68
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoate
CID 7097451
(2S)-6-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 57285552
(2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 7033653
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-[(2S)-1-(1H-indol-3-yl)-3-oxobutan-2-yl]hexanamide
CID 135165358
5-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-2-(methylamino)-5-oxopentanoic acid
CID 85064207
5-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 166842954
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylpentanamide
CID 129132728
4-(2-aminopropanoylamino)-5-[[2-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 18234725
2-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]pentanedioic acid
CID 18491439
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821

Frequently Asked Questions

What is the IUPAC name of ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid?
The IUPAC name of ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid (CID 143041569) is ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid.
What is the SMILES notation for ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid?
The canonical SMILES for ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid is CC.CC(=O)C(CCC(=O)O)NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid?
The InChIKey is IVWQKWDZDAYEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4.C2H6/c1-10(19)13(6-7-16(21)22)18-15(20)8-11-9-17-14-5-3-2-4-12(11)14;1-2/h2-5,9,13,17H,6-8H2,1H3,(H,18,20)(H,21,22);1-2H3.
What are the key properties of ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid?
ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid is sourced from PubChem (CID 143041569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).