1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid

C15H16N2O3 — CID 115445167

IUPAC1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16N2O3/c18-13(17-9-15(14(19)20)6-3-7-15)11-8-16-12-5-2-1-4-10(11)12/h1-2,4-5,8,16H,3,6-7,9H2,(H,17,18)(H,19,20)
InChIKeyDHXJTEXGBKMJAI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.15
Rot. Bonds4

About 1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid

1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445167) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115445167
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16N2O3/c18-13(17-9-15(14(19)20)6-3-7-15)11-8-16-12-5-2-1-4-10(11)12/h1-2,4-5,8,16H,3,6-7,9H2,(H,17,18)(H,19,20)
InChIKeyDHXJTEXGBKMJAI-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

N-[(1-ethylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103766558
N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-3-carboxamide
CID 115878291
N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide
CID 103742649
N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide
CID 62520393
1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362845
1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449941
1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432966
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445899
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide
CID 115634491
1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921378

Frequently Asked Questions

What is the IUPAC name of 1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid (CID 115445167) is 1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCC1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is DHXJTEXGBKMJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-13(17-9-15(14(19)20)6-3-7-15)11-8-16-12-5-2-1-4-10(11)12/h1-2,4-5,8,16H,3,6-7,9H2,(H,17,18)(H,19,20).
What are the key properties of 1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(1H-indole-3-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-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).