2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid

C16H18N2O3 — CID 81165050

IUPAC2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)c2cc3ccccc3[nH]2)CCC1
InChIInChI=1S/C16H18N2O3/c19-14(20)9-16(6-3-7-16)10-17-15(21)13-8-11-4-1-2-5-12(11)18-13/h1-2,4-5,8,18H,3,6-7,9-10H2,(H,17,21)(H,19,20)
InChIKeyJWPPJDYDJALADP-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.54
Rot. Bonds5

About 2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid

2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81165050) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid
PubChem CID81165050
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)c2cc3ccccc3[nH]2)CCC1
InChIInChI=1S/C16H18N2O3/c19-14(20)9-16(6-3-7-16)10-17-15(21)13-8-11-4-1-2-5-12(11)18-13/h1-2,4-5,8,18H,3,6-7,9-10H2,(H,17,21)(H,19,20)
InChIKeyJWPPJDYDJALADP-UHFFFAOYSA-N
XLogP2.54
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(1H-indole-2-carbonylamino)methyl]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

1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362845
N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide
CID 103993280
4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide
CID 77096829
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
2-[1-[[(1-oxo-2H-isoquinolin-3-yl)amino]methyl]cyclobutyl]acetic acid
CID 81163793
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 104772745
2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid
CID 119195154
N-(2-hydroxy-3-phenylpropyl)-1H-indole-2-carboxamide
CID 71921555
2-[1-[[(2-chloro-5-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 106500375

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid (CID 81165050) is 2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)c2cc3ccccc3[nH]2)CCC1.
What is the InChIKey of 2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is JWPPJDYDJALADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14(20)9-16(6-3-7-16)10-17-15(21)13-8-11-4-1-2-5-12(11)18-13/h1-2,4-5,8,18H,3,6-7,9-10H2,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81165050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).