1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid

C19H24N2O3 — CID 120544579

IUPAC1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C19H24N2O3/c1-13-15(14-7-3-4-8-16(14)21-13)11-17(22)20-12-19(18(23)24)9-5-2-6-10-19/h3-4,7-8,21H,2,5-6,9-12H2,1H3,(H,20,22)(H,23,24)
InChIKeyPPCRGQHXMUYNMO-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.17
Rot. Bonds5

About 1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544579) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544579
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C19H24N2O3/c1-13-15(14-7-3-4-8-16(14)21-13)11-17(22)20-12-19(18(23)24)9-5-2-6-10-19/h3-4,7-8,21H,2,5-6,9-12H2,1H3,(H,20,22)(H,23,24)
InChIKeyPPCRGQHXMUYNMO-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 114751152
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 56911658
1-[[[2-(2-methylphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367155
4-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120543132
3-[(2-methyl-1H-indol-3-yl)methyl]oxetane-3-carboxylic acid
CID 116930115
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55713643
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86925978
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 65036979
N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 66175804

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 120544579) is 1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is Cc1[nH]c2ccccc2c1CC(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is PPCRGQHXMUYNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-15(14-7-3-4-8-16(14)21-13)11-17(22)20-12-19(18(23)24)9-5-2-6-10-19/h3-4,7-8,21H,2,5-6,9-12H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).