1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid

C15H16N2O3 — CID 81362845

IUPAC1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H16N2O3/c18-13(16-9-15(14(19)20)6-3-7-15)12-8-10-4-1-2-5-11(10)17-12/h1-2,4-5,8,17H,3,6-7,9H2,(H,16,18)(H,19,20)
InChIKeyWWSDYLVXMZCNKP-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.15
Rot. Bonds4

About 1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid

1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 81362845) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID81362845
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H16N2O3/c18-13(16-9-15(14(19)20)6-3-7-15)12-8-10-4-1-2-5-11(10)17-12/h1-2,4-5,8,17H,3,6-7,9H2,(H,16,18)(H,19,20)
InChIKeyWWSDYLVXMZCNKP-UHFFFAOYSA-N
XLogP2.15
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81165050
N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide
CID 103993280
1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445167
1-[(1H-indole-6-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362162
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257010
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
4-[[(7-nitro-1H-indole-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542786
N-(2-hydroxy-3-phenylpropyl)-1H-indole-2-carboxamide
CID 71921555
3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid
CID 64890184

Frequently Asked Questions

What is the IUPAC name of 1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid (CID 81362845) is 1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCC1)c1cc2ccccc2[nH]1.
What is the InChIKey of 1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is WWSDYLVXMZCNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-13(16-9-15(14(19)20)6-3-7-15)12-8-10-4-1-2-5-11(10)17-12/h1-2,4-5,8,17H,3,6-7,9H2,(H,16,18)(H,19,20).
What are the key properties of 1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81362845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).