2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid

C15H19NO3 — CID 119346553

IUPAC2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C15H19NO3/c1-16(11-13(17)18)14(19)15(8-5-9-15)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18)
InChIKeyBFFVTUHWVWSZHL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds5

About 2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid

2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid (PubChem CID 119346553) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid
PubChem CID119346553
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C15H19NO3/c1-16(11-13(17)18)14(19)15(8-5-9-15)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18)
InChIKeyBFFVTUHWVWSZHL-UHFFFAOYSA-N
XLogP1.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide
CID 75495083
1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride
CID 119554243
3-benzyl-N,N-dimethylpiperidine-3-carboxamide
CID 86184563
1-benzylcyclopropane-1-carboxylic acid
CID 562561
N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184122
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447915
1-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447419
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199
1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea
CID 166317860
2-[[1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346070
4-benzylpiperidine-4-carboxylic acid
CID 18365178

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid (CID 119346553) is 2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)C1(Cc2ccccc2)CCC1.
What is the InChIKey of 2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid?
The InChIKey is BFFVTUHWVWSZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16(11-13(17)18)14(19)15(8-5-9-15)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18).
What are the key properties of 2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid?
2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid is sourced from PubChem (CID 119346553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).