2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid

C15H19NO3 — CID 119347597

IUPAC2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)C1CCC1
InChIInChI=1S/C15H19NO3/c17-14(18)11-16(15(19)13-7-4-8-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18)
InChIKeySSEJKHZWLMBUOY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds6

About 2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid

2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid (PubChem CID 119347597) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
PubChem CID119347597
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)C1CCC1
InChIInChI=1S/C15H19NO3/c17-14(18)11-16(15(19)13-7-4-8-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18)
InChIKeySSEJKHZWLMBUOY-UHFFFAOYSA-N
XLogP1.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Analyze 2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347235
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid
CID 119347606
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
CID 42698365
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
2-[benzyl-(4,4-difluorocyclohexanecarbonyl)amino]acetic acid
CID 120517973
2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347295
2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347195
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 3924733
N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride
CID 120884901

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid (CID 119347597) is 2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)C(=O)C1CCC1.
What is the InChIKey of 2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid?
The InChIKey is SSEJKHZWLMBUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(18)11-16(15(19)13-7-4-8-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18).
What are the key properties of 2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid?
2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).