2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid

C19H21NO3 — CID 120543456

IUPAC2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid
SMILESO=C(CCC1CCC1)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C19H21NO3/c21-17(11-8-13-4-3-5-13)20-18(19(22)23)16-10-9-14-6-1-2-7-15(14)12-16/h1-2,6-7,9-10,12-13,18H,3-5,8,11H2,(H,20,21)(H,22,23)
InChIKeyBBLIBQSFDGLEOR-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.66
Rot. Bonds6

About 2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid

2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid (PubChem CID 120543456) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid.

Molecular Properties

Compound Name2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid
PubChem CID120543456
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid
SMILESO=C(CCC1CCC1)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C19H21NO3/c21-17(11-8-13-4-3-5-13)20-18(19(22)23)16-10-9-14-6-1-2-7-15(14)12-16/h1-2,6-7,9-10,12-13,18H,3-5,8,11H2,(H,20,21)(H,22,23)
InChIKeyBBLIBQSFDGLEOR-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid
CID 120543472
2-(butanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543507
2-naphthalen-2-yl-2-(pentanoylamino)acetic acid
CID 120543531
(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
CID 103870984
2-[(2-tert-butylsulfanylacetyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543464
3-(3-cyclobutylpropanoylamino)-2-methyl-3-phenylpropanoic acid
CID 120522194
2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid
CID 120543546
2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid
CID 120543509
2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid
CID 120543519
3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 103772689
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543523
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid?
The IUPAC name of 2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid (CID 120543456) is 2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid.
What is the SMILES notation for 2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid?
The canonical SMILES for 2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid is O=C(CCC1CCC1)NC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid?
The InChIKey is BBLIBQSFDGLEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-17(11-8-13-4-3-5-13)20-18(19(22)23)16-10-9-14-6-1-2-7-15(14)12-16/h1-2,6-7,9-10,12-13,18H,3-5,8,11H2,(H,20,21)(H,22,23).
What are the key properties of 2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid?
2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid has a molecular weight of 311.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid is sourced from PubChem (CID 120543456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).