1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid

C15H20N2O4 — CID 106261987

IUPAC1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1CCNC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H20N2O4/c1-21-12-6-3-2-5-11(12)7-10-16-14(20)17-15(13(18)19)8-4-9-15/h2-3,5-6H,4,7-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyMLDZEYQVDKDZPP-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.54
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid

1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 106261987) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID106261987
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1CCNC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H20N2O4/c1-21-12-6-3-2-5-11(12)7-10-16-14(20)17-15(13(18)19)8-4-9-15/h2-3,5-6H,4,7-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyMLDZEYQVDKDZPP-UHFFFAOYSA-N
XLogP1.54
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 79756956
1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243096
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-carbamothioyl-N-[2-(2-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 106261282
2-[1-(aminomethyl)cyclobutyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 106260828
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 113214456
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111478718
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid (CID 106261987) is 1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid is COc1ccccc1CCNC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is MLDZEYQVDKDZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-12-6-3-2-5-11(12)7-10-16-14(20)17-15(13(18)19)8-4-9-15/h2-3,5-6H,4,7-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid?
1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106261987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).