1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid

C17H17NO3 — CID 81164008

IUPAC1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1ccc2ccccc2c1)NC1(C(=O)O)CCC1
InChIInChI=1S/C17H17NO3/c19-15(18-17(16(20)21)8-3-9-17)11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10H,3,8-9,11H2,(H,18,19)(H,20,21)
InChIKeyOYLIRCYNNRUTOM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.51
Rot. Bonds4

About 1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid

1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81164008) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81164008
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1ccc2ccccc2c1)NC1(C(=O)O)CCC1
InChIInChI=1S/C17H17NO3/c19-15(18-17(16(20)21)8-3-9-17)11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10H,3,8-9,11H2,(H,18,19)(H,20,21)
InChIKeyOYLIRCYNNRUTOM-UHFFFAOYSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic 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

1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856
1-[[2-(3-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 115910172
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide
CID 170732644
1-[[2-(3-ethylsulfonylphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120531000
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176363
1-[(2-benzylsulfanylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81158714
1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 91834717
1-[[2-(2-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158336
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082

Frequently Asked Questions

What is the IUPAC name of 1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid (CID 81164008) is 1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid is O=C(Cc1ccc2ccccc2c1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is OYLIRCYNNRUTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-15(18-17(16(20)21)8-3-9-17)11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10H,3,8-9,11H2,(H,18,19)(H,20,21).
What are the key properties of 1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid?
1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).