1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid

C15H19NO4 — CID 62116197

IUPAC1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N(CCO)Cc2ccccc2)CCC1
InChIInChI=1S/C15H19NO4/c17-10-9-16(11-12-5-2-1-3-6-12)13(18)15(14(19)20)7-4-8-15/h1-3,5-6,17H,4,7-11H2,(H,19,20)
InChIKeyAIDNISHPECQUTA-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.26
Rot. Bonds6

About 1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid

1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62116197) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62116197
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N(CCO)Cc2ccccc2)CCC1
InChIInChI=1S/C15H19NO4/c17-10-9-16(11-12-5-2-1-3-6-12)13(18)15(14(19)20)7-4-8-15/h1-3,5-6,17H,4,7-11H2,(H,19,20)
InChIKeyAIDNISHPECQUTA-UHFFFAOYSA-N
XLogP1.26
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 54870816
1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride
CID 171338056
1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 62115129
N-benzyl-1-carbamothioyl-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80591899
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095546
N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600654
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 81172115
6-[benzyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 60948107
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
1-[methyl-[(4-methylphenyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 62095554

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 62116197) is 1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)N(CCO)Cc2ccccc2)CCC1.
What is the InChIKey of 1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is AIDNISHPECQUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-10-9-16(11-12-5-2-1-3-6-12)13(18)15(14(19)20)7-4-8-15/h1-3,5-6,17H,4,7-11H2,(H,19,20).
What are the key properties of 1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62116197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).