2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid

C19H24N2O3 — CID 120546197

IUPAC2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)CCc2c[nH]c3ccccc23)CCCCC1C(=O)O
InChIInChI=1S/C19H24N2O3/c1-19(11-5-4-7-15(19)18(23)24)21-17(22)10-9-13-12-20-16-8-3-2-6-14(13)16/h2-3,6,8,12,15,20H,4-5,7,9-11H2,1H3,(H,21,22)(H,23,24)
InChIKeyOZGVDXWRYUSENM-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.25
Rot. Bonds5

About 2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid

2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 120546197) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID120546197
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)CCc2c[nH]c3ccccc23)CCCCC1C(=O)O
InChIInChI=1S/C19H24N2O3/c1-19(11-5-4-7-15(19)18(23)24)21-17(22)10-9-13-12-20-16-8-3-2-6-14(13)16/h2-3,6,8,12,15,20H,4-5,7,9-11H2,1H3,(H,21,22)(H,23,24)
InChIKeyOZGVDXWRYUSENM-UHFFFAOYSA-N
XLogP3.25
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506
1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
CID 65450806
N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1H-indol-3-yl)propanamide
CID 71907529
2-(butanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545841
3-(1H-indol-3-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
CID 71943405
1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid
CID 166224769
3-(1H-indol-3-yl)-N-[(1-propylcyclopropyl)methyl]propanamide
CID 103762183
2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120545686
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 68709397
3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide
CID 103991132
3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
CID 43420888

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid (CID 120546197) is 2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid is CC1(NC(=O)CCc2c[nH]c3ccccc23)CCCCC1C(=O)O.
What is the InChIKey of 2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is OZGVDXWRYUSENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(11-5-4-7-15(19)18(23)24)21-17(22)10-9-13-12-20-16-8-3-2-6-14(13)16/h2-3,6,8,12,15,20H,4-5,7,9-11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid?
2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120546197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).