2-(butanoylamino)-2-naphthalen-2-ylacetic acid

C16H17NO3 — CID 120543507

IUPAC2-(butanoylamino)-2-naphthalen-2-ylacetic acid
SMILESCCCC(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO3/c1-2-5-14(18)17-15(16(19)20)13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,15H,2,5H2,1H3,(H,17,18)(H,19,20)
InChIKeyZBTOGOPUQLMBIG-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.88
Rot. Bonds5

About 2-(butanoylamino)-2-naphthalen-2-ylacetic acid

2-(butanoylamino)-2-naphthalen-2-ylacetic acid (PubChem CID 120543507) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(butanoylamino)-2-naphthalen-2-ylacetic acid.

Molecular Properties

Compound Name2-(butanoylamino)-2-naphthalen-2-ylacetic acid
PubChem CID120543507
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(butanoylamino)-2-naphthalen-2-ylacetic acid
SMILESCCCC(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO3/c1-2-5-14(18)17-15(16(19)20)13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,15H,2,5H2,1H3,(H,17,18)(H,19,20)
InChIKeyZBTOGOPUQLMBIG-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-2-yl-2-(pentanoylamino)acetic acid
CID 120543531
2-[(2-tert-butylsulfanylacetyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543464
2-naphthalen-2-yl-2-(propylamino)acetic acid
CID 43754123
2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543456
2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid
CID 120543546
2-(butanoylamino)-2-(3-methoxyphenyl)acetic acid
CID 112508886
2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543590
2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid
CID 120543472
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]-2-naphthalen-2-ylacetic acid
CID 120543564
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543523

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-2-naphthalen-2-ylacetic acid?
The IUPAC name of 2-(butanoylamino)-2-naphthalen-2-ylacetic acid (CID 120543507) is 2-(butanoylamino)-2-naphthalen-2-ylacetic acid.
What is the SMILES notation for 2-(butanoylamino)-2-naphthalen-2-ylacetic acid?
The canonical SMILES for 2-(butanoylamino)-2-naphthalen-2-ylacetic acid is CCCC(=O)NC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(butanoylamino)-2-naphthalen-2-ylacetic acid?
The InChIKey is ZBTOGOPUQLMBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-5-14(18)17-15(16(19)20)13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,15H,2,5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(butanoylamino)-2-naphthalen-2-ylacetic acid?
2-(butanoylamino)-2-naphthalen-2-ylacetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-2-naphthalen-2-ylacetic acid is sourced from PubChem (CID 120543507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).