2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid

C17H20N2O3 — CID 119218043

IUPAC2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESCc1cccc2[nH]cc(CC(=O)NC3(CC(=O)O)CCC3)c12
InChIInChI=1S/C17H20N2O3/c1-11-4-2-5-13-16(11)12(10-18-13)8-14(20)19-17(6-3-7-17)9-15(21)22/h2,4-5,10,18H,3,6-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyKYACGGHIIQTHLV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.53
Rot. Bonds5

About 2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 119218043) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid
PubChem CID119218043
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESCc1cccc2[nH]cc(CC(=O)NC3(CC(=O)O)CCC3)c12
InChIInChI=1S/C17H20N2O3/c1-11-4-2-5-13-16(11)12(10-18-13)8-14(20)19-17(6-3-7-17)9-15(21)22/h2,4-5,10,18H,3,6-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyKYACGGHIIQTHLV-UHFFFAOYSA-N
XLogP2.53
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic 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

2-[1-[[2-(2-methylphenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64670407
2-[4-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]oxan-4-yl]acetic acid
CID 119215017
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
1-(4-methyl-1H-indol-3-yl)propan-2-one
CID 28806622
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
2-[2-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242531
2-(4-methyl-1H-indol-3-yl)acetamide
CID 24905096
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64700742
4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119251873
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-1H-indol-3-yl)acetamide
CID 111696322
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid (CID 119218043) is 2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid is Cc1cccc2[nH]cc(CC(=O)NC3(CC(=O)O)CCC3)c12.
What is the InChIKey of 2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is KYACGGHIIQTHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-4-2-5-13-16(11)12(10-18-13)8-14(20)19-17(6-3-7-17)9-15(21)22/h2,4-5,10,18H,3,6-9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119218043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).