1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid

C15H20N2O3 — CID 115445899

IUPAC1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESNCCc1ccccc1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C15H20N2O3/c16-9-6-11-4-1-2-5-12(11)13(18)17-10-15(14(19)20)7-3-8-15/h1-2,4-5H,3,6-10,16H2,(H,17,18)(H,19,20)
InChIKeyKXJLNDFBDWRLJV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.17
Rot. Bonds6

About 1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445899) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445899
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESNCCc1ccccc1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C15H20N2O3/c16-9-6-11-4-1-2-5-12(11)13(18)17-10-15(14(19)20)7-3-8-15/h1-2,4-5H,3,6-10,16H2,(H,17,18)(H,19,20)
InChIKeyKXJLNDFBDWRLJV-UHFFFAOYSA-N
XLogP1.17
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432966
2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81131152
1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445182
1-[[(5-amino-2-bromobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445974
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866
1-[[(2-chloro-3-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435717
1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445167
1-[[(2-prop-2-enoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544590
2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763944
1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369097
2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362936
1-[[[2-(2-methylphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367155

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 115445899) is 1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid is NCCc1ccccc1C(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is KXJLNDFBDWRLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-9-6-11-4-1-2-5-12(11)13(18)17-10-15(14(19)20)7-3-8-15/h1-2,4-5H,3,6-10,16H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).