5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid

C19H23NO3 — CID 175403054

IUPAC5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid
SMILESO=C(CC1CCCCC1)CC(C(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H23NO3/c21-14(10-13-6-2-1-3-7-13)11-16(19(22)23)17-12-20-18-9-5-4-8-15(17)18/h4-5,8-9,12-13,16,20H,1-3,6-7,10-11H2,(H,22,23)
InChIKeyFMOMRXOFKDVBMB-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.27
Rot. Bonds6

About 5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid

5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid (PubChem CID 175403054) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid
PubChem CID175403054
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid
SMILESO=C(CC1CCCCC1)CC(C(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H23NO3/c21-14(10-13-6-2-1-3-7-13)11-16(19(22)23)17-12-20-18-9-5-4-8-15(17)18/h4-5,8-9,12-13,16,20H,1-3,6-7,10-11H2,(H,22,23)
InChIKeyFMOMRXOFKDVBMB-UHFFFAOYSA-N
XLogP4.27
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)butanedioic acid
CID 588708
2-(1H-indol-3-yl)-4-methylpentanoic acid
CID 83644825
3-azido-3-(1H-indol-3-yl)propanoic acid;cyclohexanamine
CID 139560078
(2R)-2-(1H-indol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid
CID 927890
(2S)-4-(4-bromophenyl)imino-2-(1H-indol-3-yl)-4-phenylbutanoic acid
CID 1378766
(4Z)-4-(carbamothioylhydrazinylidene)-2-(1H-indol-3-yl)-4-phenylbutanoic acid
CID 122197311
4-(2,5-dimethylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
CID 13077495
(2R)-2-[acetyl(cyclohexylmethyl)amino]-4-cyclohexyl-3-(1H-indol-3-yl)-2-methylbutanoic acid
CID 22870669
(2S)-4-[(4-bromobenzoyl)hydrazinylidene]-2-(1H-indol-3-yl)-4-phenylbutanoic acid
CID 129441168
2-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4-oxobutanoic acid
CID 129234967
4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one
CID 11817694
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid?
The IUPAC name of 5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid (CID 175403054) is 5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid.
What is the SMILES notation for 5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid?
The canonical SMILES for 5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid is O=C(CC1CCCCC1)CC(C(=O)O)c1c[nH]c2ccccc12.
What is the InChIKey of 5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid?
The InChIKey is FMOMRXOFKDVBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c21-14(10-13-6-2-1-3-7-13)11-16(19(22)23)17-12-20-18-9-5-4-8-15(17)18/h4-5,8-9,12-13,16,20H,1-3,6-7,10-11H2,(H,22,23).
What are the key properties of 5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid?
5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid has a molecular weight of 313.40 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid is sourced from PubChem (CID 175403054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).