1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid

C16H20N2O3 — CID 115446922

IUPAC1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1Cc2ccccc21)NCC1(C(=O)O)CCC1
InChIInChI=1S/C16H20N2O3/c19-14(20)16(6-3-7-16)10-18-15(21)17-9-12-8-11-4-1-2-5-13(11)12/h1-2,4-5,12H,3,6-10H2,(H,19,20)(H2,17,18,21)
InChIKeyXOUGQSYAOFGJKL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.88
Rot. Bonds5

About 1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid

1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446922) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115446922
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1Cc2ccccc21)NCC1(C(=O)O)CCC1
InChIInChI=1S/C16H20N2O3/c19-14(20)16(6-3-7-16)10-18-15(21)17-9-12-8-11-4-1-2-5-13(11)12/h1-2,4-5,12H,3,6-10H2,(H,19,20)(H2,17,18,21)
InChIKeyXOUGQSYAOFGJKL-UHFFFAOYSA-N
XLogP1.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97108739
1-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclobutane-1-carboxamide
CID 81179569
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cycloheptane-1-carboxylic acid
CID 79429413
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66407808
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide
CID 78995107
1-[(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445872
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813123
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 66409556
1-[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451567
(2S)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107828270
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,2,2-trifluoroacetamide
CID 62726730

Frequently Asked Questions

What is the IUPAC name of 1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid (CID 115446922) is 1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid is O=C(NCC1Cc2ccccc21)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is XOUGQSYAOFGJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-14(20)16(6-3-7-16)10-18-15(21)17-9-12-8-11-4-1-2-5-13(11)12/h1-2,4-5,12H,3,6-10H2,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).